1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

C14H18ClN3 — CID 28738492

IUPAC1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-10-14(11(2)18(3)17-10)9-16-8-12-4-6-13(15)7-5-12/h4-7,16H,8-9H2,1-3H3
InChIKeyDEFYXLKWAQGTFX-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 28738492) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
PubChem CID28738492
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-10-14(11(2)18(3)17-10)9-16-8-12-4-6-13(15)7-5-12/h4-7,16H,8-9H2,1-3H3
InChIKeyDEFYXLKWAQGTFX-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28670467
4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile
CID 60776965
2-chloro-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 78960630
1-(2,5-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79006355
1-(4-bromo-3-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79174504
N-[(4-chlorophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41360467
1-(4-chlorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105085290
2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 30054388
1-(5-methyl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 103864327
1-[(4-chlorophenyl)methyl]-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111130994
1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79236414
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 122165886

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (CID 28738492) is 1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is Cc1nn(C)c(C)c1CNCc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is DEFYXLKWAQGTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-10-14(11(2)18(3)17-10)9-16-8-12-4-6-13(15)7-5-12/h4-7,16H,8-9H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 263.77 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 28738492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).