N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

C18H21N5O — CID 118787439

IUPACN-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2n(n1)CCN(Cc1ccc(C#N)cc1)C2
InChIInChI=1S/C18H21N5O/c1-2-18(24)20-11-16-9-17-13-22(7-8-23(17)21-16)12-15-5-3-14(10-19)4-6-15/h3-6,9H,2,7-8,11-13H2,1H3,(H,20,24)
InChIKeyKEDOVWJTUXNFMW-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.80
Rot. Bonds5

About N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (PubChem CID 118787439) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
PubChem CID118787439
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2n(n1)CCN(Cc1ccc(C#N)cc1)C2
InChIInChI=1S/C18H21N5O/c1-2-18(24)20-11-16-9-17-13-22(7-8-23(17)21-16)12-15-5-3-14(10-19)4-6-15/h3-6,9H,2,7-8,11-13H2,1H3,(H,20,24)
InChIKeyKEDOVWJTUXNFMW-UHFFFAOYSA-N
XLogP1.80
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[(3-ethoxy-4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118767723
N-[[5-[(5-acetylthiophen-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118765127
N-[[5-[(3-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118792122
N-[[5-[(2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118792861
N-[[5-[(4-propoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70769683
N-[[5-[(4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 121495415
N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 121499645
1,1-dimethyl-3-[[5-[(4-methylsulfanylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea
CID 70719656
N-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118770884
N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 171134954
N-[[5-[[4-(difluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70745275
N-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70765722

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (CID 118787439) is N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is CCC(=O)NCc1cc2n(n1)CCN(Cc1ccc(C#N)cc1)C2.
What is the InChIKey of N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The InChIKey is KEDOVWJTUXNFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-18(24)20-11-16-9-17-13-22(7-8-23(17)21-16)12-15-5-3-14(10-19)4-6-15/h3-6,9H,2,7-8,11-13H2,1H3,(H,20,24).
What are the key properties of N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide has a molecular weight of 323.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is sourced from PubChem (CID 118787439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).