N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine

C15H21N3 — CID 61272505

IUPACN-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc(Cn2cc(CNC(C)C)cn2)cc1
InChIInChI=1S/C15H21N3/c1-12(2)16-8-15-9-17-18(11-15)10-14-6-4-13(3)5-7-14/h4-7,9,11-12,16H,8,10H2,1-3H3
InChIKeyAMLJOAXHHBABET-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.74
Rot. Bonds5

About N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine

N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 61272505) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
PubChem CID61272505
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc(Cn2cc(CNC(C)C)cn2)cc1
InChIInChI=1S/C15H21N3/c1-12(2)16-8-15-9-17-18(11-15)10-14-6-4-13(3)5-7-14/h4-7,9,11-12,16H,8,10H2,1-3H3
InChIKeyAMLJOAXHHBABET-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 62732121
N-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 55110405
4-iodo-1-[(4-methylphenyl)methyl]pyrazole
CID 15942918
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135
N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 62731582
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine
CID 103014934
N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 107456506
N-[2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105348677
N-[[1-[(2-bromo-4-fluorophenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 62731399
ethyl 2-[(1-benzylpyrazol-4-yl)methylamino]propanoate
CID 61498436
N-[(1-heptylpyrazol-4-yl)methyl]propan-2-amine
CID 55111059

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine (CID 61272505) is N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine is Cc1ccc(Cn2cc(CNC(C)C)cn2)cc1.
What is the InChIKey of N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is AMLJOAXHHBABET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12(2)16-8-15-9-17-18(11-15)10-14-6-4-13(3)5-7-14/h4-7,9,11-12,16H,8,10H2,1-3H3.
What are the key properties of N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 61272505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).