1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine

C15H20ClN3 — CID 43677530

IUPAC1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCc1n[nH]c(C)c1CNC(C)Cc1ccccc1Cl
InChIInChI=1S/C15H20ClN3/c1-10(8-13-6-4-5-7-15(13)16)17-9-14-11(2)18-19-12(14)3/h4-7,10,17H,8-9H2,1-3H3,(H,18,19)
InChIKeyFSKNQHYGZIJMIH-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.40
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine

1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine (PubChem CID 43677530) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
PubChem CID43677530
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCc1n[nH]c(C)c1CNC(C)Cc1ccccc1Cl
InChIInChI=1S/C15H20ClN3/c1-10(8-13-6-4-5-7-15(13)16)17-9-14-11(2)18-19-12(14)3/h4-7,10,17H,8-9H2,1-3H3,(H,18,19)
InChIKeyFSKNQHYGZIJMIH-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole
CID 121012476
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine
CID 62761568
1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine
CID 63428003
(1R)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81383005
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 60780252
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43644966
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681351
1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
CID 43677385
1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 43779699
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735003
N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 43677455

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine (CID 43677530) is 1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine is Cc1n[nH]c(C)c1CNC(C)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is FSKNQHYGZIJMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-10(8-13-6-4-5-7-15(13)16)17-9-14-11(2)18-19-12(14)3/h4-7,10,17H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 277.80 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 43677530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).