N-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

C20H21N5O — CID 70752205

IUPACN-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
SMILESO=C(CCc1cc2n(n1)CCNC2)Nc1cccc(-c2cccnc2)c1
InChIInChI=1S/C20H21N5O/c26-20(7-6-18-12-19-14-22-9-10-25(19)24-18)23-17-5-1-3-15(11-17)16-4-2-8-21-13-16/h1-5,8,11-13,22H,6-7,9-10,14H2,(H,23,26)
InChIKeyHJAOJWHBLXUFHU-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.62
Rot. Bonds5

About N-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

N-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide (PubChem CID 70752205) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
PubChem CID70752205
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
SMILESO=C(CCc1cc2n(n1)CCNC2)Nc1cccc(-c2cccnc2)c1
InChIInChI=1S/C20H21N5O/c26-20(7-6-18-12-19-14-22-9-10-25(19)24-18)23-17-5-1-3-15(11-17)16-4-2-8-21-13-16/h1-5,8,11-13,22H,6-7,9-10,14H2,(H,23,26)
InChIKeyHJAOJWHBLXUFHU-UHFFFAOYSA-N
XLogP2.62
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70722632
3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 70746150
N-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
CID 154893708
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
CID 154893396
N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839204
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
CID 154895023
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70719139
1-(4-methylsulfonylpiperazin-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one
CID 70775835
(3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 166803782
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
CID 154893788
2-[1-[5-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-3-carbonyl]piperazin-2-yl]acetamide
CID 20755557

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The IUPAC name of N-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide (CID 70752205) is N-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide.
What is the SMILES notation for N-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The canonical SMILES for N-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide is O=C(CCc1cc2n(n1)CCNC2)Nc1cccc(-c2cccnc2)c1.
What is the InChIKey of N-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
The InChIKey is HJAOJWHBLXUFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(7-6-18-12-19-14-22-9-10-25(19)24-18)23-17-5-1-3-15(11-17)16-4-2-8-21-13-16/h1-5,8,11-13,22H,6-7,9-10,14H2,(H,23,26).
What are the key properties of N-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide?
N-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide has a molecular weight of 347.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide is sourced from PubChem (CID 70752205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).