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

C19H26N8 — CID 118767271

IUPACN-[[5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESCCCn1cc(CN2CCn3nc(CNc4ncccn4)cc3C2)c(C)n1
InChIInChI=1S/C19H26N8/c1-3-7-26-13-16(15(2)23-26)12-25-8-9-27-18(14-25)10-17(24-27)11-22-19-20-5-4-6-21-19/h4-6,10,13H,3,7-9,11-12,14H2,1-2H3,(H,20,21,22)
InChIKeyNZDGEFPVTYNRSX-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.22
Rot. Bonds7

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

N-[[5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 118767271) has the molecular formula C19H26N8 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[[5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
PubChem CID118767271
Molecular FormulaC19H26N8
Molecular Weight366.47 g/mol
Exact Mass366.23
IUPAC NameN-[[5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESCCCn1cc(CN2CCn3nc(CNc4ncccn4)cc3C2)c(C)n1
InChIInChI=1S/C19H26N8/c1-3-7-26-13-16(15(2)23-26)12-25-8-9-27-18(14-25)10-17(24-27)11-22-19-20-5-4-6-21-19/h4-6,10,13H,3,7-9,11-12,14H2,1-2H3,(H,20,21,22)
InChIKeyNZDGEFPVTYNRSX-UHFFFAOYSA-N
XLogP2.22
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (CID 118767271) is N-[[5-[(3-methyl-1-propylpyrazol-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-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is CCCn1cc(CN2CCn3nc(CNc4ncccn4)cc3C2)c(C)n1.
What is the InChIKey of N-[[5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is NZDGEFPVTYNRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8/c1-3-7-26-13-16(15(2)23-26)12-25-8-9-27-18(14-25)10-17(24-27)11-22-19-20-5-4-6-21-19/h4-6,10,13H,3,7-9,11-12,14H2,1-2H3,(H,20,21,22).
What are the key properties of N-[[5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
N-[[5-[(3-methyl-1-propylpyrazol-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 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 118767271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).