N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C18H22F3N5O — CID 119552693

About N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 119552693) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• PubChem CID: 119552693
• Molecular Formula: C18H22F3N5O
• Molecular Weight: 381.40 g/mol
• Exact Mass: 381.18
• IUPAC Name: N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• SMILES: CC(C)c1c(C(=O)N(C)C2CCNC2)cnn1-c1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C18H22F3N5O/c1-11(2)16-14(17(27)25(3)13-6-7-22-9-13)10-24-26(16)15-5-4-12(8-23-15)18(19,20)21/h4-5,8,10-11,13,22H,6-7,9H2,1-3H3
• InChIKey: OOCKEXPOILOYTF-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.40
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The IUPAC name of N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 119552693) is N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The canonical SMILES for N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CC(C)c1c(C(=O)N(C)C2CCNC2)cnn1-c1ccc(C(F)(F)F)cn1.

What is the InChIKey of N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The InChIKey is OOCKEXPOILOYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c1-11(2)16-14(17(27)25(3)13-6-7-22-9-13)10-24-26(16)15-5-4-12(8-23-15)18(19,20)21/h4-5,8,10-11,13,22H,6-7,9H2,1-3H3.

What are the key properties of N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 119552693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).