3-amino-4-chloro-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide

C11H16ClN5O2 — CID 90653667

IUPAC3-amino-4-chloro-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide
SMILESCCCN1CC(NC(=O)c2[nH]nc(N)c2Cl)CC1=O
InChIInChI=1S/C11H16ClN5O2/c1-2-3-17-5-6(4-7(17)18)14-11(19)9-8(12)10(13)16-15-9/h6H,2-5H2,1H3,(H,14,19)(H3,13,15,16)
InChIKeyPIHBBAHINQWJOL-UHFFFAOYSA-N
MW285.74 g/mol
LogP0.39
Rot. Bonds4

About 3-amino-4-chloro-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide

3-amino-4-chloro-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 90653667) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID90653667
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Name3-amino-4-chloro-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide
SMILESCCCN1CC(NC(=O)c2[nH]nc(N)c2Cl)CC1=O
InChIInChI=1S/C11H16ClN5O2/c1-2-3-17-5-6(4-7(17)18)14-11(19)9-8(12)10(13)16-15-9/h6H,2-5H2,1H3,(H,14,19)(H3,13,15,16)
InChIKeyPIHBBAHINQWJOL-UHFFFAOYSA-N
XLogP0.39
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-amino-4-chloro-1H-pyrazol-3-yl)carbonyl]-N,4-dimethylpiperidine-4-carboxamide
CID 77084990
1-[(5-amino-4-chloro-1H-pyrazol-3-yl)carbonyl]-N,N-dimethylazepan-4-amine
CID 77086875
4-chloro-3-[(3-piperidin-1-ylazetidin-1-yl)carbonyl]-1H-pyrazol-5-amine
CID 91770784
(3'S*,4'S*)-1'-[(5-amino-4-chloro-1H-pyrazol-3-yl)carbonyl]-1,3'-bipyrrolidin-4'-ol
CID 91782146
(3-amino-4-chloro-1H-pyrazol-5-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone
CID 100269111
4-chloro-3-{[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]carbonyl}-1H-pyrazol-5-amine
CID 77092006
3-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 64523651
3-amino-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 64524097
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide
CID 64524302
3-amino-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide
CID 64524869
3-amino-N-[3-(diethylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide
CID 64525021
3-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide
CID 64525051

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-4-chloro-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide (CID 90653667) is 3-amino-4-chloro-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-4-chloro-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-4-chloro-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide is CCCN1CC(NC(=O)c2[nH]nc(N)c2Cl)CC1=O.
What is the InChIKey of 3-amino-4-chloro-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is PIHBBAHINQWJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c1-2-3-17-5-6(4-7(17)18)14-11(19)9-8(12)10(13)16-15-9/h6H,2-5H2,1H3,(H,14,19)(H3,13,15,16).
What are the key properties of 3-amino-4-chloro-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide?
3-amino-4-chloro-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 285.74 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90653667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).