1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine

C14H18ClN3 — CID 22196363

IUPAC1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine
SMILESCc1c(CN(C)Cc2cccc(Cl)c2)cnn1C
InChIInChI=1S/C14H18ClN3/c1-11-13(8-16-18(11)3)10-17(2)9-12-5-4-6-14(15)7-12/h4-8H,9-10H2,1-3H3
InChIKeyLMPJZKCWUMVBMJ-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.01
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine

1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine (PubChem CID 22196363) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine
PubChem CID22196363
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine
SMILESCc1c(CN(C)Cc2cccc(Cl)c2)cnn1C
InChIInChI=1S/C14H18ClN3/c1-11-13(8-16-18(11)3)10-17(2)9-12-5-4-6-14(15)7-12/h4-8H,9-10H2,1-3H3
InChIKeyLMPJZKCWUMVBMJ-UHFFFAOYSA-N
XLogP3.01
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 106993559
2-(3-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105078195
N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899747
N-[[4-(3-chlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 42433341
4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine
CID 82024385
1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
CID 127045282
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-6,7-dimethylchromen-2-one
CID 9251054
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544
(1S)-1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81372486
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 79584745
6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 133405618
2-[(3-chlorophenyl)methyl-methylamino]acetonitrile
CID 60699809

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine (CID 22196363) is 1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine is Cc1c(CN(C)Cc2cccc(Cl)c2)cnn1C.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine?
The InChIKey is LMPJZKCWUMVBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-11-13(8-16-18(11)3)10-17(2)9-12-5-4-6-14(15)7-12/h4-8H,9-10H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine?
1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine has a molecular weight of 263.77 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 22196363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).