[(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

C15H26N4O2 — CID 133138619

IUPAC[(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2C[C@@H](CCO)[C@H](N)C2)n(C)n1
InChIInChI=1S/C15H26N4O2/c1-10(2)6-12-7-14(18(3)17-12)15(21)19-8-11(4-5-20)13(16)9-19/h7,10-11,13,20H,4-6,8-9,16H2,1-3H3/t11-,13-/m1/s1
InChIKeyMEFIBMQRBVBZFG-DGCLKSJQSA-N
MW294.40 g/mol
LogP0.40
Rot. Bonds5

About [(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

[(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (PubChem CID 133138619) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is [(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
PubChem CID133138619
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name[(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2C[C@@H](CCO)[C@H](N)C2)n(C)n1
InChIInChI=1S/C15H26N4O2/c1-10(2)6-12-7-14(18(3)17-12)15(21)19-8-11(4-5-20)13(16)9-19/h7,10-11,13,20H,4-6,8-9,16H2,1-3H3/t11-,13-/m1/s1
InChIKeyMEFIBMQRBVBZFG-DGCLKSJQSA-N
XLogP0.40
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 70721848
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
CID 46957093
2-[(3S,4S)-4-(3-chlorophenoxy)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide
CID 110078816
(2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56704892
[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 50963218
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 95426769
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 166622260
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 79409981
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110105248
(3R,4S)-4-hydroxy-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3-propylpiperidine-3-carboxylic acid
CID 163315681
(2,5-difluorophenyl)-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]methanone
CID 24790323
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 95136458

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The IUPAC name of [(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (CID 133138619) is [(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The canonical SMILES for [(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is CC(C)Cc1cc(C(=O)N2C[C@@H](CCO)[C@H](N)C2)n(C)n1.
What is the InChIKey of [(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The InChIKey is MEFIBMQRBVBZFG-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10(2)6-12-7-14(18(3)17-12)15(21)19-8-11(4-5-20)13(16)9-19/h7,10-11,13,20H,4-6,8-9,16H2,1-3H3/t11-,13-/m1/s1.
What are the key properties of [(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
[(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone has a molecular weight of 294.40 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 133138619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).