N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine

C17H29N3 — CID 114899185

IUPACN-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine
SMILESCC(CNC1CCC1)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H29N3/c1-14(13-18-15-6-5-7-15)12-16-10-11-20(19-16)17-8-3-2-4-9-17/h10-11,14-15,17-18H,2-9,12-13H2,1H3
InChIKeyUWDAGFOTJUMDFX-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.71
Rot. Bonds6

About N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine

N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine (PubChem CID 114899185) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine.

Molecular Properties

Compound NameN-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine
PubChem CID114899185
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine
SMILESCC(CNC1CCC1)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H29N3/c1-14(13-18-15-6-5-7-15)12-16-10-11-20(19-16)17-8-3-2-4-9-17/h10-11,14-15,17-18H,2-9,12-13H2,1H3
InChIKeyUWDAGFOTJUMDFX-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461
N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine
CID 64777118
N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]pentyl]cyclopropanamine
CID 64779466
4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81012869
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
CID 103456685
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64778196
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine?
The IUPAC name of N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine (CID 114899185) is N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine.
What is the SMILES notation for N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine?
The canonical SMILES for N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine is CC(CNC1CCC1)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine?
The InChIKey is UWDAGFOTJUMDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14(13-18-15-6-5-7-15)12-16-10-11-20(19-16)17-8-3-2-4-9-17/h10-11,14-15,17-18H,2-9,12-13H2,1H3.
What are the key properties of N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine?
N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine has a molecular weight of 275.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine is sourced from PubChem (CID 114899185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).