N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C18H22F3N5O — CID 124683176

About N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 124683176) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• PubChem CID: 124683176
• Molecular Formula: C18H22F3N5O
• Molecular Weight: 381.40 g/mol
• Exact Mass: 381.18
• IUPAC Name: N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• SMILES: CC(C)c1c(C(=O)N[C@H](CN)C2CC2)cnn1-c1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C18H22F3N5O/c1-10(2)16-13(17(27)25-14(7-22)11-3-4-11)9-24-26(16)15-6-5-12(8-23-15)18(19,20)21/h5-6,8-11,14H,3-4,7,22H2,1-2H3,(H,25,27)/t14-/m1/s1
• InChIKey: GYTGYNGZNAAHLA-CQSZACIVSA-N
• XLogP: 2.88
• TPSA: 85.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.40
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The IUPAC name of N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 124683176) is N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The canonical SMILES for N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CC(C)c1c(C(=O)N[C@H](CN)C2CC2)cnn1-c1ccc(C(F)(F)F)cn1.

What is the InChIKey of N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The InChIKey is GYTGYNGZNAAHLA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22F3N5O/c1-10(2)16-13(17(27)25-14(7-22)11-3-4-11)9-24-26(16)15-6-5-12(8-23-15)18(19,20)21/h5-6,8-11,14H,3-4,7,22H2,1-2H3,(H,25,27)/t14-/m1/s1.

What are the key properties of N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 124683176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).