5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbonitrile

C10H10ClF2N3 — CID 63789679

IUPAC5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C(F)F)nn(C2CCCC2)c1Cl
InChIInChI=1S/C10H10ClF2N3/c11-9-7(5-14)8(10(12)13)15-16(9)6-3-1-2-4-6/h6,10H,1-4H2
InChIKeyRRWQYBCQGMFAEP-UHFFFAOYSA-N
MW245.66 g/mol
LogP3.46
Rot. Bonds2

About 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbonitrile

5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbonitrile (PubChem CID 63789679) has the molecular formula C10H10ClF2N3 and a molecular weight of 245.66 g/mol. Its IUPAC name is 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbonitrile
PubChem CID63789679
Molecular FormulaC10H10ClF2N3
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Name5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C(F)F)nn(C2CCCC2)c1Cl
InChIInChI=1S/C10H10ClF2N3/c11-9-7(5-14)8(10(12)13)15-16(9)6-3-1-2-4-6/h6,10H,1-4H2
InChIKeyRRWQYBCQGMFAEP-UHFFFAOYSA-N
XLogP3.46
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbonitrile (CID 63789679) is 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbonitrile is N#Cc1c(C(F)F)nn(C2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbonitrile?
The InChIKey is RRWQYBCQGMFAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N3/c11-9-7(5-14)8(10(12)13)15-16(9)6-3-1-2-4-6/h6,10H,1-4H2.
What are the key properties of 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbonitrile?
5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbonitrile has a molecular weight of 245.66 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 63789679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).