(3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide

C14H22N4O2 — CID 164640824

IUPAC(3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide
SMILESCn1nc(NC(=O)N2CC[C@H](O)C2(C)C)cc1C1CC1
InChIInChI=1S/C14H22N4O2/c1-14(2)11(19)6-7-18(14)13(20)15-12-8-10(9-4-5-9)17(3)16-12/h8-9,11,19H,4-7H2,1-3H3,(H,15,16,20)/t11-/m0/s1
InChIKeyVTTLSGUSJAIOFF-NSHDSACASA-N
MW278.36 g/mol
LogP1.67
Rot. Bonds2

About (3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide

(3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide (PubChem CID 164640824) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide
PubChem CID164640824
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide
SMILESCn1nc(NC(=O)N2CC[C@H](O)C2(C)C)cc1C1CC1
InChIInChI=1S/C14H22N4O2/c1-14(2)11(19)6-7-18(14)13(20)15-12-8-10(9-4-5-9)17(3)16-12/h8-9,11,19H,4-7H2,1-3H3,(H,15,16,20)/t11-/m0/s1
InChIKeyVTTLSGUSJAIOFF-NSHDSACASA-N
XLogP1.67
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide (CID 164640824) is (3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide is Cn1nc(NC(=O)N2CC[C@H](O)C2(C)C)cc1C1CC1.
What is the InChIKey of (3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide?
The InChIKey is VTTLSGUSJAIOFF-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2)11(19)6-7-18(14)13(20)15-12-8-10(9-4-5-9)17(3)16-12/h8-9,11,19H,4-7H2,1-3H3,(H,15,16,20)/t11-/m0/s1.
What are the key properties of (3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide?
(3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-hydroxy-2,2-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 164640824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).