N-cyclopropyl-5-fluoro-1,3-dimethyl-N-(2-phenoxycyclohexyl)pyrazole-4-carboxamide

C21H26FN3O2 — CID 89455986

IUPACN-cyclopropyl-5-fluoro-1,3-dimethyl-N-(2-phenoxycyclohexyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)N(C1CC1)C1CCCCC1Oc1ccccc1
InChIInChI=1S/C21H26FN3O2/c1-14-19(20(22)24(2)23-14)21(26)25(15-12-13-15)17-10-6-7-11-18(17)27-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-13H2,1-2H3
InChIKeyYCNGYMQRZQPXSM-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.86
Rot. Bonds5

About N-cyclopropyl-5-fluoro-1,3-dimethyl-N-(2-phenoxycyclohexyl)pyrazole-4-carboxamide

N-cyclopropyl-5-fluoro-1,3-dimethyl-N-(2-phenoxycyclohexyl)pyrazole-4-carboxamide (PubChem CID 89455986) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-cyclopropyl-5-fluoro-1,3-dimethyl-N-(2-phenoxycyclohexyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-fluoro-1,3-dimethyl-N-(2-phenoxycyclohexyl)pyrazole-4-carboxamide
PubChem CID89455986
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-cyclopropyl-5-fluoro-1,3-dimethyl-N-(2-phenoxycyclohexyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)N(C1CC1)C1CCCCC1Oc1ccccc1
InChIInChI=1S/C21H26FN3O2/c1-14-19(20(22)24(2)23-14)21(26)25(15-12-13-15)17-10-6-7-11-18(17)27-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-13H2,1-2H3
InChIKeyYCNGYMQRZQPXSM-UHFFFAOYSA-N
XLogP3.86
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-fluoro-1,3-dimethyl-N-(2-phenoxycyclohexyl)pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-fluoro-1,3-dimethyl-N-(2-phenoxycyclohexyl)pyrazole-4-carboxamide (CID 89455986) is N-cyclopropyl-5-fluoro-1,3-dimethyl-N-(2-phenoxycyclohexyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-fluoro-1,3-dimethyl-N-(2-phenoxycyclohexyl)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-fluoro-1,3-dimethyl-N-(2-phenoxycyclohexyl)pyrazole-4-carboxamide is Cc1nn(C)c(F)c1C(=O)N(C1CC1)C1CCCCC1Oc1ccccc1.
What is the InChIKey of N-cyclopropyl-5-fluoro-1,3-dimethyl-N-(2-phenoxycyclohexyl)pyrazole-4-carboxamide?
The InChIKey is YCNGYMQRZQPXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-14-19(20(22)24(2)23-14)21(26)25(15-12-13-15)17-10-6-7-11-18(17)27-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-13H2,1-2H3.
What are the key properties of N-cyclopropyl-5-fluoro-1,3-dimethyl-N-(2-phenoxycyclohexyl)pyrazole-4-carboxamide?
N-cyclopropyl-5-fluoro-1,3-dimethyl-N-(2-phenoxycyclohexyl)pyrazole-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-fluoro-1,3-dimethyl-N-(2-phenoxycyclohexyl)pyrazole-4-carboxamide is sourced from PubChem (CID 89455986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).