N-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine

C16H29N3 — CID 103130946

IUPACN-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine
SMILESCCCC1CCC(C(NCC)c2ccn(C)n2)CC1
InChIInChI=1S/C16H29N3/c1-4-6-13-7-9-14(10-8-13)16(17-5-2)15-11-12-19(3)18-15/h11-14,16-17H,4-10H2,1-3H3
InChIKeyMPDALEKGWXFZBY-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.68
Rot. Bonds6

About N-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine

N-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine (PubChem CID 103130946) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine
PubChem CID103130946
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine
SMILESCCCC1CCC(C(NCC)c2ccn(C)n2)CC1
InChIInChI=1S/C16H29N3/c1-4-6-13-7-9-14(10-8-13)16(17-5-2)15-11-12-19(3)18-15/h11-14,16-17H,4-10H2,1-3H3
InChIKeyMPDALEKGWXFZBY-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine
CID 103135015
[cyclopropyl-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228557
N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
CID 114097404
1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103130959
N-[2,3-dihydro-1H-inden-1-yl-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103130973
N-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 103130978
1-cyclopropyl-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876237
N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine
CID 65423582
N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135539
N-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine
CID 107560350
N-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 115860125
2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 103131463

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine (CID 103130946) is N-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine is CCCC1CCC(C(NCC)c2ccn(C)n2)CC1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine?
The InChIKey is MPDALEKGWXFZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-6-13-7-9-14(10-8-13)16(17-5-2)15-11-12-19(3)18-15/h11-14,16-17H,4-10H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine?
N-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 103130946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).