1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide

C16H21N5O2 — CID 121279425

About 1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide

1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 121279425) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
• PubChem CID: 121279425
• Molecular Formula: C16H21N5O2
• Molecular Weight: 315.38 g/mol
• Exact Mass: 315.17
• IUPAC Name: 1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
• SMILES: CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)C3(C#N)CC3)C2)n[nH]1
• InChI: InChI=1S/C16H21N5O2/c1-10(2)12-7-13(20-19-12)14(22)21-6-3-11(8-21)18-15(23)16(9-17)4-5-16/h7,10-11H,3-6,8H2,1-2H3,(H,18,23)(H,19,20)/t11-/m1/s1
• InChIKey: MOTMETGGMHJBQS-LLVKDONJSA-N
• XLogP: 1.17
• TPSA: 101.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.38
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?

The IUPAC name of 1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (CID 121279425) is 1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)C3(C#N)CC3)C2)n[nH]1.

What is the InChIKey of 1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?

The InChIKey is MOTMETGGMHJBQS-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10(2)12-7-13(20-19-12)14(22)21-6-3-11(8-21)18-15(23)16(9-17)4-5-16/h7,10-11H,3-6,8H2,1-2H3,(H,18,23)(H,19,20)/t11-/m1/s1.

What are the key properties of 1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?

1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 121279425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).