N-[2-(2-chloronaphthalen-1-yl)cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

C19H16ClF2N3O — CID 59161491

IUPACN-[2-(2-chloronaphthalen-1-yl)cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CC2c2c(Cl)ccc3ccccc23)c(C(F)F)n1
InChIInChI=1S/C19H16ClF2N3O/c1-25-9-13(17(24-25)18(21)22)19(26)23-15-8-12(15)16-11-5-3-2-4-10(11)6-7-14(16)20/h2-7,9,12,15,18H,8H2,1H3,(H,23,26)
InChIKeyFRTYTEFOPKYUSU-UHFFFAOYSA-N
MW375.81 g/mol
LogP4.45
Rot. Bonds4

About N-[2-(2-chloronaphthalen-1-yl)cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

N-[2-(2-chloronaphthalen-1-yl)cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 59161491) has the molecular formula C19H16ClF2N3O and a molecular weight of 375.81 g/mol. Its IUPAC name is N-[2-(2-chloronaphthalen-1-yl)cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloronaphthalen-1-yl)cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID59161491
Molecular FormulaC19H16ClF2N3O
Molecular Weight375.81 g/mol
Exact Mass375.09
IUPAC NameN-[2-(2-chloronaphthalen-1-yl)cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CC2c2c(Cl)ccc3ccccc23)c(C(F)F)n1
InChIInChI=1S/C19H16ClF2N3O/c1-25-9-13(17(24-25)18(21)22)19(26)23-15-8-12(15)16-11-5-3-2-4-10(11)6-7-14(16)20/h2-7,9,12,15,18H,8H2,1H3,(H,23,26)
InChIKeyFRTYTEFOPKYUSU-UHFFFAOYSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloronaphthalen-1-yl)cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-chloronaphthalen-1-yl)cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 59161491) is N-[2-(2-chloronaphthalen-1-yl)cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-chloronaphthalen-1-yl)cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-chloronaphthalen-1-yl)cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CC2c2c(Cl)ccc3ccccc23)c(C(F)F)n1.
What is the InChIKey of N-[2-(2-chloronaphthalen-1-yl)cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is FRTYTEFOPKYUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O/c1-25-9-13(17(24-25)18(21)22)19(26)23-15-8-12(15)16-11-5-3-2-4-10(11)6-7-14(16)20/h2-7,9,12,15,18H,8H2,1H3,(H,23,26).
What are the key properties of N-[2-(2-chloronaphthalen-1-yl)cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-[2-(2-chloronaphthalen-1-yl)cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 375.81 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloronaphthalen-1-yl)cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 59161491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).