1-cyclopropyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride

C16H24ClN5O2 — CID 120933138

IUPAC1-cyclopropyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride
SMILESCl.Cn1cc([C@H]2CNC[C@@H]2C(=O)N2CCN(C3CC3)C(=O)C2)cn1
InChIInChI=1S/C16H23N5O2.ClH/c1-19-9-11(6-18-19)13-7-17-8-14(13)16(23)20-4-5-21(12-2-3-12)15(22)10-20;/h6,9,12-14,17H,2-5,7-8,10H2,1H3;1H/t13-,14+;/m1./s1
InChIKeyYXYZZJCTYYVGJI-DFQHDRSWSA-N
MW353.85 g/mol
LogP-0.02
Rot. Bonds3

About 1-cyclopropyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride

1-cyclopropyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride (PubChem CID 120933138) has the molecular formula C16H24ClN5O2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-cyclopropyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride
PubChem CID120933138
Molecular FormulaC16H24ClN5O2
Molecular Weight353.85 g/mol
Exact Mass353.16
IUPAC Name1-cyclopropyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride
SMILESCl.Cn1cc([C@H]2CNC[C@@H]2C(=O)N2CCN(C3CC3)C(=O)C2)cn1
InChIInChI=1S/C16H23N5O2.ClH/c1-19-9-11(6-18-19)13-7-17-8-14(13)16(23)20-4-5-21(12-2-3-12)15(22)10-20;/h6,9,12-14,17H,2-5,7-8,10H2,1H3;1H/t13-,14+;/m1./s1
InChIKeyYXYZZJCTYYVGJI-DFQHDRSWSA-N
XLogP-0.02
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride with MolForge

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Related Compounds

(4-cyclopropylpiperazin-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120938775
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120916885
1,3-dihydroisoindol-2-yl-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120931629
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120938756
(4-cyclopentyl-1,4-diazepan-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120940658
2,2-dimethyl-1-[4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 120922162
N-ethyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazine-1-carboxamide
CID 120920170
[4-[(dimethylamino)methyl]piperidin-1-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120939318
N-cyclohexyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazine-1-carboxamide;hydrochloride
CID 120924825
(4-ethylsulfonylpiperazin-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone
CID 120921904
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 120933028
[4-(4-methylbenzoyl)piperazin-1-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120922131

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride?
The IUPAC name of 1-cyclopropyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride (CID 120933138) is 1-cyclopropyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 1-cyclopropyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride is Cl.Cn1cc([C@H]2CNC[C@@H]2C(=O)N2CCN(C3CC3)C(=O)C2)cn1.
What is the InChIKey of 1-cyclopropyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride?
The InChIKey is YXYZZJCTYYVGJI-DFQHDRSWSA-N. The full InChI is InChI=1S/C16H23N5O2.ClH/c1-19-9-11(6-18-19)13-7-17-8-14(13)16(23)20-4-5-21(12-2-3-12)15(22)10-20;/h6,9,12-14,17H,2-5,7-8,10H2,1H3;1H/t13-,14+;/m1./s1.
What are the key properties of 1-cyclopropyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride?
1-cyclopropyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 120933138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).