2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine

C13H23N3 — CID 81014075

IUPAC2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(c2cnn(C)c2)C1
InChIInChI=1S/C13H23N3/c1-9(2)10-4-5-13(14)12(6-10)11-7-15-16(3)8-11/h7-10,12-13H,4-6,14H2,1-3H3
InChIKeyMQFZNXBZWAOFEQ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.29
Rot. Bonds2

About 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine

2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 81014075) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID81014075
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(c2cnn(C)c2)C1
InChIInChI=1S/C13H23N3/c1-9(2)10-4-5-13(14)12(6-10)11-7-15-16(3)8-11/h7-10,12-13H,4-6,14H2,1-3H3
InChIKeyMQFZNXBZWAOFEQ-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020421
2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine
CID 81014840
2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81014080
2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine
CID 146260881
4-propan-2-yl-2-quinolin-7-ylcyclohexan-1-amine
CID 81222924
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004042
[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004048
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120936219
4-tert-butyl-2-(1-propylpyrazol-4-yl)cyclohexan-1-amine
CID 81014748
N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine
CID 81034337
2-methyl-1-[2-(1-methylpyrazol-4-yl)cyclopropyl]propan-1-one
CID 139468604
2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81013335

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine (CID 81014075) is 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(c2cnn(C)c2)C1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is MQFZNXBZWAOFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9(2)10-4-5-13(14)12(6-10)11-7-15-16(3)8-11/h7-10,12-13H,4-6,14H2,1-3H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine?
2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 81014075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).