N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C20H16F4N4O — CID 97002379

IUPACN-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H16F4N4O/c1-11-16(10-26-28(11)18-6-5-13(9-25-18)20(22,23)24)19(29)27-17-8-15(17)12-3-2-4-14(21)7-12/h2-7,9-10,15,17H,8H2,1H3,(H,27,29)/t15-,17-/m1/s1
InChIKeyMUKAUUDGLWJMKE-NVXWUHKLSA-N
MW404.37 g/mol
LogP4.02
Rot. Bonds4

About N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 97002379) has the molecular formula C20H16F4N4O and a molecular weight of 404.37 g/mol. Its IUPAC name is N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID97002379
Molecular FormulaC20H16F4N4O
Molecular Weight404.37 g/mol
Exact Mass404.13
IUPAC NameN-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H16F4N4O/c1-11-16(10-26-28(11)18-6-5-13(9-25-18)20(22,23)24)19(29)27-17-8-15(17)12-3-2-4-14(21)7-12/h2-7,9-10,15,17H,8H2,1H3,(H,27,29)/t15-,17-/m1/s1
InChIKeyMUKAUUDGLWJMKE-NVXWUHKLSA-N
XLogP4.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 97002379) is N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1c(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is MUKAUUDGLWJMKE-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H16F4N4O/c1-11-16(10-26-28(11)18-6-5-13(9-25-18)20(22,23)24)19(29)27-17-8-15(17)12-3-2-4-14(21)7-12/h2-7,9-10,15,17H,8H2,1H3,(H,27,29)/t15-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 404.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 97002379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).