1-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

C16H30N4O — CID 66018713

IUPAC1-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCCCc1nn(C)c(NCC2(O)CCC(C)(C)CC2)c1N
InChIInChI=1S/C16H30N4O/c1-5-6-12-13(17)14(20(4)19-12)18-11-16(21)9-7-15(2,3)8-10-16/h18,21H,5-11,17H2,1-4H3
InChIKeyORFFOYHXCMBABG-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.70
Rot. Bonds5

About 1-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

1-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 66018713) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID66018713
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCCCc1nn(C)c(NCC2(O)CCC(C)(C)CC2)c1N
InChIInChI=1S/C16H30N4O/c1-5-6-12-13(17)14(20(4)19-12)18-11-16(21)9-7-15(2,3)8-10-16/h18,21H,5-11,17H2,1-4H3
InChIKeyORFFOYHXCMBABG-UHFFFAOYSA-N
XLogP2.70
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol
CID 66018131
1-methyl-3-propyl-5-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4,5-diamine
CID 79353358
5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 115405451
3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106275315
5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019463
2-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251184
1-methyl-5-N-(4-methylpentyl)-3-propylpyrazole-4,5-diamine
CID 66019860
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-methylpropanamide
CID 66019658
5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019810
5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017100
5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017735
N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride
CID 174670115

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 66018713) is 1-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is CCCc1nn(C)c(NCC2(O)CCC(C)(C)CC2)c1N.
What is the InChIKey of 1-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is ORFFOYHXCMBABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-5-6-12-13(17)14(20(4)19-12)18-11-16(21)9-7-15(2,3)8-10-16/h18,21H,5-11,17H2,1-4H3.
What are the key properties of 1-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
1-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 66018713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).