N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-propylcyclopropanamine

C17H23N3 — CID 131903598

IUPACN-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1cc(C)ccc1-n1cccn1)C1CC1
InChIInChI=1S/C17H23N3/c1-3-10-19(16-6-7-16)13-15-12-14(2)5-8-17(15)20-11-4-9-18-20/h4-5,8-9,11-12,16H,3,6-7,10,13H2,1-2H3
InChIKeyZOQPKGSAESHNGF-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.56
Rot. Bonds6

About N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-propylcyclopropanamine

N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-propylcyclopropanamine (PubChem CID 131903598) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-propylcyclopropanamine
PubChem CID131903598
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1cc(C)ccc1-n1cccn1)C1CC1
InChIInChI=1S/C17H23N3/c1-3-10-19(16-6-7-16)13-15-12-14(2)5-8-17(15)20-11-4-9-18-20/h4-5,8-9,11-12,16H,3,6-7,10,13H2,1-2H3
InChIKeyZOQPKGSAESHNGF-UHFFFAOYSA-N
XLogP3.56
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(bromomethyl)-4-methylphenyl]pyrazole
CID 106765702
1-(2,4-dimethylphenyl)pyrazole
CID 13066329
N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine
CID 63388091
4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 77087015
N-[(2-hydrazinyl-3-pyridinyl)methyl]-N-propylcyclopropanamine
CID 62470498
1-(2-bromo-5-methylphenyl)pyrazole
CID 130121317
N-[(1-phenylimidazol-2-yl)methyl]-N-propylpiperidin-4-amine
CID 120835453
(3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol
CID 133122718
2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine
CID 72909461
3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 60840230
4-[4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]benzoic acid
CID 74237702
4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79111703

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-propylcyclopropanamine?
The IUPAC name of N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-propylcyclopropanamine (CID 131903598) is N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-propylcyclopropanamine is CCCN(Cc1cc(C)ccc1-n1cccn1)C1CC1.
What is the InChIKey of N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-propylcyclopropanamine?
The InChIKey is ZOQPKGSAESHNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-10-19(16-6-7-16)13-15-12-14(2)5-8-17(15)20-11-4-9-18-20/h4-5,8-9,11-12,16H,3,6-7,10,13H2,1-2H3.
What are the key properties of N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-propylcyclopropanamine?
N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-propylcyclopropanamine has a molecular weight of 269.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-propylcyclopropanamine is sourced from PubChem (CID 131903598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).