N-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine

C19H26N8 — CID 118791369

IUPACN-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESCCn1nc(C)c(CN2CCn3nc(CNc4ncccn4)cc3C2)c1C
InChIInChI=1S/C19H26N8/c1-4-26-15(3)18(14(2)23-26)13-25-8-9-27-17(12-25)10-16(24-27)11-22-19-20-6-5-7-21-19/h5-7,10H,4,8-9,11-13H2,1-3H3,(H,20,21,22)
InChIKeyDKDFHNMZFAOJQN-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.13
Rot. Bonds6

About N-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine

N-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 118791369) has the molecular formula C19H26N8 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
PubChem CID118791369
Molecular FormulaC19H26N8
Molecular Weight366.47 g/mol
Exact Mass366.23
IUPAC NameN-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESCCn1nc(C)c(CN2CCn3nc(CNc4ncccn4)cc3C2)c1C
InChIInChI=1S/C19H26N8/c1-4-26-15(3)18(14(2)23-26)13-25-8-9-27-17(12-25)10-16(24-27)11-22-19-20-6-5-7-21-19/h5-7,10H,4,8-9,11-13H2,1-3H3,(H,20,21,22)
InChIKeyDKDFHNMZFAOJQN-UHFFFAOYSA-N
XLogP2.13
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[[5-[(2,6-difluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118792457
N-[(5-pentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidin-2-amine
CID 118765107
N-[[5-[(3,4-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118775970
N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 72892667
N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118794700
N-[[5-[[4-(2-aminoethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118763967
4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]benzoic acid
CID 118788965
2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol
CID 118775943
N-[[5-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118789867
N-[[5-[(2R)-2,6-dimethylhept-5-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 125173894
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 118790526
N-[[5-[(1-ethylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine
CID 118793471

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (CID 118791369) is N-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is CCn1nc(C)c(CN2CCn3nc(CNc4ncccn4)cc3C2)c1C.
What is the InChIKey of N-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is DKDFHNMZFAOJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8/c1-4-26-15(3)18(14(2)23-26)13-25-8-9-27-17(12-25)10-16(24-27)11-22-19-20-6-5-7-21-19/h5-7,10H,4,8-9,11-13H2,1-3H3,(H,20,21,22).
What are the key properties of N-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
N-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 366.47 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 118791369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).