1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one

C13H18ClN5O2 — CID 99932464

IUPAC1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one
SMILESNc1n[nH]c(C(=O)N2CCC[C@H](N3CCCC3=O)C2)c1Cl
InChIInChI=1S/C13H18ClN5O2/c14-10-11(16-17-12(10)15)13(21)18-5-1-3-8(7-18)19-6-2-4-9(19)20/h8H,1-7H2,(H3,15,16,17)/t8-/m0/s1
InChIKeyZPFKWMJPDGHJNV-QMMMGPOBSA-N
MW311.77 g/mol
LogP0.87
Rot. Bonds2

About 1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one

1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one (PubChem CID 99932464) has the molecular formula C13H18ClN5O2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one
PubChem CID99932464
Molecular FormulaC13H18ClN5O2
Molecular Weight311.77 g/mol
Exact Mass311.11
IUPAC Name1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one
SMILESNc1n[nH]c(C(=O)N2CCC[C@H](N3CCCC3=O)C2)c1Cl
InChIInChI=1S/C13H18ClN5O2/c14-10-11(16-17-12(10)15)13(21)18-5-1-3-8(7-18)19-6-2-4-9(19)20/h8H,1-7H2,(H3,15,16,17)/t8-/m0/s1
InChIKeyZPFKWMJPDGHJNV-QMMMGPOBSA-N
XLogP0.87
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one with MolForge

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Related Compounds

(3-amino-4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)azepan-1-yl]methanone
CID 77086875
4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide
CID 146082370
(3-amino-4-chloro-1H-pyrazol-5-yl)-[2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 77078935
1-[1-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]piperidin-3-yl]pyrrolidin-2-one
CID 77091056
1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126899312
1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one
CID 166186927
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
1-cyclodecylpyrrolidin-2-one
CID 138507623
1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one
CID 111538467
(3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95765390
azane;1-cyclohexylpyrrolidin-2-one
CID 172723863

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one (CID 99932464) is 1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one is Nc1n[nH]c(C(=O)N2CCC[C@H](N3CCCC3=O)C2)c1Cl.
What is the InChIKey of 1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is ZPFKWMJPDGHJNV-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H18ClN5O2/c14-10-11(16-17-12(10)15)13(21)18-5-1-3-8(7-18)19-6-2-4-9(19)20/h8H,1-7H2,(H3,15,16,17)/t8-/m0/s1.
What are the key properties of 1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one?
1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 311.77 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 99932464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).