1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine

C15H20ClN3 — CID 43687623

IUPAC1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1[nH]ncc1CNC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C15H20ClN3/c1-10(2)15(12-4-6-14(16)7-5-12)17-8-13-9-18-19-11(13)3/h4-7,9-10,15,17H,8H2,1-3H3,(H,18,19)
InChIKeySGDPLKHNXMFUKV-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.86
Rot. Bonds5

About 1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine

1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 43687623) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID43687623
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1[nH]ncc1CNC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C15H20ClN3/c1-10(2)15(12-4-6-14(16)7-5-12)17-8-13-9-18-19-11(13)3/h4-7,9-10,15,17H,8H2,1-3H3,(H,18,19)
InChIKeySGDPLKHNXMFUKV-UHFFFAOYSA-N
XLogP3.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663590
1-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54893050
1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine
CID 55109309
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 54896321
4-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]benzonitrile
CID 43692433
(2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol
CID 93257822
4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine
CID 43663741
1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 64542283
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 79578972
5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole
CID 175718043
(1R)-1-(3-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81369930
(2S)-1-(furan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 93264764

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 43687623) is 1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine is Cc1[nH]ncc1CNC(c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is SGDPLKHNXMFUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-10(2)15(12-4-6-14(16)7-5-12)17-8-13-9-18-19-11(13)3/h4-7,9-10,15,17H,8H2,1-3H3,(H,18,19).
What are the key properties of 1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 43687623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).