1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine

C16H29N3 — CID 65423611

IUPAC1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
SMILESCCn1cc(C(NC)C2CCC(C(C)C)CC2)cn1
InChIInChI=1S/C16H29N3/c1-5-19-11-15(10-18-19)16(17-4)14-8-6-13(7-9-14)12(2)3/h10-14,16-17H,5-9H2,1-4H3
InChIKeyQPCOGGPDDNTSTA-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.63
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine

1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine (PubChem CID 65423611) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
PubChem CID65423611
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
SMILESCCn1cc(C(NC)C2CCC(C(C)C)CC2)cn1
InChIInChI=1S/C16H29N3/c1-5-19-11-15(10-18-19)16(17-4)14-8-6-13(7-9-14)12(2)3/h10-14,16-17H,5-9H2,1-4H3
InChIKeyQPCOGGPDDNTSTA-UHFFFAOYSA-N
XLogP3.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine
CID 115816197
1-cyclopropyl-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485930
1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 80603467
N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105104088
[(1-ethylpyrazol-4-yl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232222
2-cyclopropyl-1-(1-ethylpyrazol-4-yl)propan-1-ol
CID 115779051
2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103168314
tert-butyl 3-[(1-ethylpyrazol-4-yl)-(methylamino)methyl]pyrrolidine-1-carboxylate
CID 107092239
1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 79658848
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423027
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 105108762
1-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65390436

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine (CID 65423611) is 1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine is CCn1cc(C(NC)C2CCC(C(C)C)CC2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is QPCOGGPDDNTSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-19-11-15(10-18-19)16(17-4)14-8-6-13(7-9-14)12(2)3/h10-14,16-17H,5-9H2,1-4H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 263.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 65423611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).