[1-[(4,4-difluorocyclohexyl)methyl]pyrazol-4-yl]methanamine;hydrochloride

C11H18ClF2N3 — CID 146194118

IUPAC[1-[(4,4-difluorocyclohexyl)methyl]pyrazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cnn(CC2CCC(F)(F)CC2)c1
InChIInChI=1S/C11H17F2N3.ClH/c12-11(13)3-1-9(2-4-11)7-16-8-10(5-14)6-15-16;/h6,8-9H,1-5,7,14H2;1H
InChIKeyUCQVUAQTYBGNQL-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.59
Rot. Bonds3

About [1-[(4,4-difluorocyclohexyl)methyl]pyrazol-4-yl]methanamine;hydrochloride

[1-[(4,4-difluorocyclohexyl)methyl]pyrazol-4-yl]methanamine;hydrochloride (PubChem CID 146194118) has the molecular formula C11H18ClF2N3 and a molecular weight of 265.74 g/mol. Its IUPAC name is [1-[(4,4-difluorocyclohexyl)methyl]pyrazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(4,4-difluorocyclohexyl)methyl]pyrazol-4-yl]methanamine;hydrochloride
PubChem CID146194118
Molecular FormulaC11H18ClF2N3
Molecular Weight265.74 g/mol
Exact Mass265.12
IUPAC Name[1-[(4,4-difluorocyclohexyl)methyl]pyrazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cnn(CC2CCC(F)(F)CC2)c1
InChIInChI=1S/C11H17F2N3.ClH/c12-11(13)3-1-9(2-4-11)7-16-8-10(5-14)6-15-16;/h6,8-9H,1-5,7,14H2;1H
InChIKeyUCQVUAQTYBGNQL-UHFFFAOYSA-N
XLogP2.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4,4-difluorocyclohexyl)methyl]pyrazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(4,4-difluorocyclohexyl)methyl]pyrazol-4-yl]methanamine;hydrochloride (CID 146194118) is [1-[(4,4-difluorocyclohexyl)methyl]pyrazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(4,4-difluorocyclohexyl)methyl]pyrazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(4,4-difluorocyclohexyl)methyl]pyrazol-4-yl]methanamine;hydrochloride is Cl.NCc1cnn(CC2CCC(F)(F)CC2)c1.
What is the InChIKey of [1-[(4,4-difluorocyclohexyl)methyl]pyrazol-4-yl]methanamine;hydrochloride?
The InChIKey is UCQVUAQTYBGNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3.ClH/c12-11(13)3-1-9(2-4-11)7-16-8-10(5-14)6-15-16;/h6,8-9H,1-5,7,14H2;1H.
What are the key properties of [1-[(4,4-difluorocyclohexyl)methyl]pyrazol-4-yl]methanamine;hydrochloride?
[1-[(4,4-difluorocyclohexyl)methyl]pyrazol-4-yl]methanamine;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,4-difluorocyclohexyl)methyl]pyrazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 146194118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).