1-(imidazol-1-ylmethyl)-N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide

C17H22F3N5O — CID 125173279

IUPAC1-(imidazol-1-ylmethyl)-N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide
SMILESCc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)C2(Cn3ccnc3)CC2)n1
InChIInChI=1S/C17H22F3N5O/c1-12(9-25-14(17(18,19)20)7-13(2)23-25)8-22-15(26)16(3-4-16)10-24-6-5-21-11-24/h5-7,11-12H,3-4,8-10H2,1-2H3,(H,22,26)/t12-/m1/s1
InChIKeyAFKXTYGFVWNRKK-GFCCVEGCSA-N
MW369.39 g/mol
LogP2.64
Rot. Bonds7

About 1-(imidazol-1-ylmethyl)-N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide

1-(imidazol-1-ylmethyl)-N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide (PubChem CID 125173279) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is 1-(imidazol-1-ylmethyl)-N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(imidazol-1-ylmethyl)-N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide
PubChem CID125173279
Molecular FormulaC17H22F3N5O
Molecular Weight369.39 g/mol
Exact Mass369.18
IUPAC Name1-(imidazol-1-ylmethyl)-N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide
SMILESCc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)C2(Cn3ccnc3)CC2)n1
InChIInChI=1S/C17H22F3N5O/c1-12(9-25-14(17(18,19)20)7-13(2)23-25)8-22-15(26)16(3-4-16)10-24-6-5-21-11-24/h5-7,11-12H,3-4,8-10H2,1-2H3,(H,22,26)/t12-/m1/s1
InChIKeyAFKXTYGFVWNRKK-GFCCVEGCSA-N
XLogP2.64
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(imidazol-1-ylmethyl)-N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(imidazol-1-ylmethyl)-N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide (CID 125173279) is 1-(imidazol-1-ylmethyl)-N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(imidazol-1-ylmethyl)-N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(imidazol-1-ylmethyl)-N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide is Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)C2(Cn3ccnc3)CC2)n1.
What is the InChIKey of 1-(imidazol-1-ylmethyl)-N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide?
The InChIKey is AFKXTYGFVWNRKK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-12(9-25-14(17(18,19)20)7-13(2)23-25)8-22-15(26)16(3-4-16)10-24-6-5-21-11-24/h5-7,11-12H,3-4,8-10H2,1-2H3,(H,22,26)/t12-/m1/s1.
What are the key properties of 1-(imidazol-1-ylmethyl)-N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide?
1-(imidazol-1-ylmethyl)-N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazol-1-ylmethyl)-N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 125173279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).