(1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine

C13H23N3 — CID 105155931

IUPAC(1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine
SMILESCc1c(C(N)C2CCCC(C)C2)cnn1C
InChIInChI=1S/C13H23N3/c1-9-5-4-6-11(7-9)13(14)12-8-15-16(3)10(12)2/h8-9,11,13H,4-7,14H2,1-3H3
InChIKeyRXAMXWPRRAKUBL-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.55
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine

(1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine (PubChem CID 105155931) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine
PubChem CID105155931
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine
SMILESCc1c(C(N)C2CCCC(C)C2)cnn1C
InChIInChI=1S/C13H23N3/c1-9-5-4-6-11(7-9)13(14)12-8-15-16(3)10(12)2/h8-9,11,13H,4-7,14H2,1-3H3
InChIKeyRXAMXWPRRAKUBL-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170198
2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 105100749
(3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine
CID 104991972
1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105155962
methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate
CID 79584453
(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 55120876
(1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol
CID 107135628
(3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine
CID 65105141
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine
CID 55185865
(5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 82769188
(2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 81305445
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 105155982

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine (CID 105155931) is (1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine is Cc1c(C(N)C2CCCC(C)C2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine?
The InChIKey is RXAMXWPRRAKUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9-5-4-6-11(7-9)13(14)12-8-15-16(3)10(12)2/h8-9,11,13H,4-7,14H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine?
(1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine has a molecular weight of 221.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 105155931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).