N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine

C14H25N3 — CID 63243485

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCCn1cc(CNCC2CCC(C)CC2)cn1
InChIInChI=1S/C14H25N3/c1-3-17-11-14(10-16-17)9-15-8-13-6-4-12(2)5-7-13/h10-13,15H,3-9H2,1-2H3
InChIKeyCBCABCHNVVLXIU-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.82
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine

N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine (PubChem CID 63243485) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
PubChem CID63243485
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCCn1cc(CNCC2CCC(C)CC2)cn1
InChIInChI=1S/C14H25N3/c1-3-17-11-14(10-16-17)9-15-8-13-6-4-12(2)5-7-13/h10-13,15H,3-9H2,1-2H3
InChIKeyCBCABCHNVVLXIU-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411499
N-[(1-ethylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 62126341
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine
CID 62127942
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3R)-1-methylpiperidin-3-yl]methanamine
CID 94358827
N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66414021
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[(1-ethylpyrazol-4-yl)methyl]-1-(thian-2-yl)methanamine
CID 80601201
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115622207
2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64830590
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66133237
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride
CID 126966107

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine (CID 63243485) is N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine is CCn1cc(CNCC2CCC(C)CC2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The InChIKey is CBCABCHNVVLXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-17-11-14(10-16-17)9-15-8-13-6-4-12(2)5-7-13/h10-13,15H,3-9H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine has a molecular weight of 235.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 63243485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).