1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

C16H29ClN4 — CID 120909798

IUPAC1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2cn(C)nc2C2CCCCC2)CC1N.Cl
InChIInChI=1S/C16H28N4.ClH/c1-12-8-20(11-15(12)17)10-14-9-19(2)18-16(14)13-6-4-3-5-7-13;/h9,12-13,15H,3-8,10-11,17H2,1-2H3;1H
InChIKeyVOASUAKUIIZAOH-UHFFFAOYSA-N
MW312.89 g/mol
LogP2.67
Rot. Bonds3

About 1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120909798) has the molecular formula C16H29ClN4 and a molecular weight of 312.89 g/mol. Its IUPAC name is 1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120909798
Molecular FormulaC16H29ClN4
Molecular Weight312.89 g/mol
Exact Mass312.21
IUPAC Name1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2cn(C)nc2C2CCCCC2)CC1N.Cl
InChIInChI=1S/C16H28N4.ClH/c1-12-8-20(11-15(12)17)10-14-9-19(2)18-16(14)13-6-4-3-5-7-13;/h9,12-13,15H,3-8,10-11,17H2,1-2H3;1H
InChIKeyVOASUAKUIIZAOH-UHFFFAOYSA-N
XLogP2.67
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909656
1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 86796019
[(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol
CID 99854232
2-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-3-methoxyazetidin-3-yl]-2,2-difluoroacetic acid
CID 167773444
4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909872
3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol
CID 126788027
3-cyclopropyl-4-ethyl-1-methylpyrazole
CID 126759747
2-[1-[(3-cyclobutyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpyrrolidin-3-yl]acetic acid
CID 166289559
4-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120961953
[4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 136568086
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 120908866
4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile
CID 75504066

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (CID 120909798) is 1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is CC1CN(Cc2cn(C)nc2C2CCCCC2)CC1N.Cl.
What is the InChIKey of 1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is VOASUAKUIIZAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4.ClH/c1-12-8-20(11-15(12)17)10-14-9-19(2)18-16(14)13-6-4-3-5-7-13;/h9,12-13,15H,3-8,10-11,17H2,1-2H3;1H.
What are the key properties of 1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).