1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine

C17H30N4O — CID 86808371

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
SMILESCc1n[nH]c(C)c1CNCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H30N4O/c1-14-16(15(2)20-19-14)12-18-13-17(6-4-3-5-7-17)21-8-10-22-11-9-21/h18H,3-13H2,1-2H3,(H,19,20)
InChIKeyOZCYAEANVQCTAK-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.15
Rot. Bonds5

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine

1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine (PubChem CID 86808371) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
PubChem CID86808371
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
SMILESCc1n[nH]c(C)c1CNCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H30N4O/c1-14-16(15(2)20-19-14)12-18-13-17(6-4-3-5-7-17)21-8-10-22-11-9-21/h18H,3-13H2,1-2H3,(H,19,20)
InChIKeyOZCYAEANVQCTAK-UHFFFAOYSA-N
XLogP2.15
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 86808372
4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine
CID 1215255
2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine
CID 56871968
(1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazol-3-ylmethyl)methyl(2-methyl-2-morpholin-4-ylpropyl)amine
CID 77088880
6-(2-Methoxyethyl)-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 118489245
5-(2-Methoxyethyl)-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118491649
6-(2-Methoxyethyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 118491658
3-Ethyl-5-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118493349
4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]morpholine
CID 4178795
4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholin-4-ium
CID 7111642
3-{[4-(4-Morpholinylmethyl)-1-piperidinyl]methyl}-1,4,5,6-tetrahydrocyclopenta[c]pyrazole bis(trifluoroacetate)
CID 28642170
N-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-morpholinyl)ethanamine
CID 28955379

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine (CID 86808371) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine is Cc1n[nH]c(C)c1CNCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
The InChIKey is OZCYAEANVQCTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-14-16(15(2)20-19-14)12-18-13-17(6-4-3-5-7-17)21-8-10-22-11-9-21/h18H,3-13H2,1-2H3,(H,19,20).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine has a molecular weight of 306.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 86808371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).