(2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide

C17H29N5O2 — CID 56704892

IUPAC(2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)Cc1cc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)n(C)n1
InChIInChI=1S/C17H29N5O2/c1-10(2)6-13-8-15(21(5)20-13)17(24)22-9-12(18)7-14(22)16(23)19-11(3)4/h8,10-12,14H,6-7,9,18H2,1-5H3,(H,19,23)/t12-,14-/m0/s1
InChIKeyTYCFJAIIZLBEQW-JSGCOSHPSA-N
MW335.45 g/mol
LogP0.69
Rot. Bonds5

About (2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56704892) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56704892
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name(2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)Cc1cc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)n(C)n1
InChIInChI=1S/C17H29N5O2/c1-10(2)6-13-8-15(21(5)20-13)17(24)22-9-12(18)7-14(22)16(23)19-11(3)4/h8,10-12,14H,6-7,9,18H2,1-5H3,(H,19,23)/t12-,14-/m0/s1
InChIKeyTYCFJAIIZLBEQW-JSGCOSHPSA-N
XLogP0.69
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56704892) is (2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)Cc1cc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)n(C)n1.
What is the InChIKey of (2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is TYCFJAIIZLBEQW-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-10(2)6-13-8-15(21(5)20-13)17(24)22-9-12(18)7-14(22)16(23)19-11(3)4/h8,10-12,14H,6-7,9,18H2,1-5H3,(H,19,23)/t12-,14-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56704892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).