4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine

C10H15ClFN3 — CID 114667623

IUPAC4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine
SMILESCn1ncc(Cl)c1C1(F)CCC(N)CC1
InChIInChI=1S/C10H15ClFN3/c1-15-9(8(11)6-14-15)10(12)4-2-7(13)3-5-10/h6-7H,2-5,13H2,1H3
InChIKeyBNYMMMJMQKESSK-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.14
Rot. Bonds1

About 4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine

4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine (PubChem CID 114667623) has the molecular formula C10H15ClFN3 and a molecular weight of 231.70 g/mol. Its IUPAC name is 4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine
PubChem CID114667623
Molecular FormulaC10H15ClFN3
Molecular Weight231.70 g/mol
Exact Mass231.09
IUPAC Name4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine
SMILESCn1ncc(Cl)c1C1(F)CCC(N)CC1
InChIInChI=1S/C10H15ClFN3/c1-15-9(8(11)6-14-15)10(12)4-2-7(13)3-5-10/h6-7H,2-5,13H2,1H3
InChIKeyBNYMMMJMQKESSK-UHFFFAOYSA-N
XLogP2.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine?
The IUPAC name of 4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine (CID 114667623) is 4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine.
What is the SMILES notation for 4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine?
The canonical SMILES for 4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine is Cn1ncc(Cl)c1C1(F)CCC(N)CC1.
What is the InChIKey of 4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine?
The InChIKey is BNYMMMJMQKESSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN3/c1-15-9(8(11)6-14-15)10(12)4-2-7(13)3-5-10/h6-7H,2-5,13H2,1H3.
What are the key properties of 4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine?
4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine has a molecular weight of 231.70 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine is sourced from PubChem (CID 114667623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).