N-[(3-cyclopropylphenyl)methyl]-1-ethylpyrazol-4-amine

C15H19N3 — CID 79979564

IUPACN-[(3-cyclopropylphenyl)methyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NCc2cccc(C3CC3)c2)cn1
InChIInChI=1S/C15H19N3/c1-2-18-11-15(10-17-18)16-9-12-4-3-5-14(8-12)13-6-7-13/h3-5,8,10-11,13,16H,2,6-7,9H2,1H3
InChIKeyBKFMYLNZGOMACC-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.39
Rot. Bonds5

About N-[(3-cyclopropylphenyl)methyl]-1-ethylpyrazol-4-amine

N-[(3-cyclopropylphenyl)methyl]-1-ethylpyrazol-4-amine (PubChem CID 79979564) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(3-cyclopropylphenyl)methyl]-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylphenyl)methyl]-1-ethylpyrazol-4-amine
PubChem CID79979564
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[(3-cyclopropylphenyl)methyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NCc2cccc(C3CC3)c2)cn1
InChIInChI=1S/C15H19N3/c1-2-18-11-15(10-17-18)16-9-12-4-3-5-14(8-12)13-6-7-13/h3-5,8,10-11,13,16H,2,6-7,9H2,1H3
InChIKeyBKFMYLNZGOMACC-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine
CID 102909482
4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
CID 19627559
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpyrazol-4-amine
CID 60870692
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine
CID 43804263
4-bromo-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979328
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine
CID 54939751
3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979180
1-ethyl-N-(2-phenylethyl)pyrazol-4-amine
CID 43543523
1-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122166829
1-(2,2-difluoroethyl)-N-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride
CID 126966884
2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 79968644

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylphenyl)methyl]-1-ethylpyrazol-4-amine?
The IUPAC name of N-[(3-cyclopropylphenyl)methyl]-1-ethylpyrazol-4-amine (CID 79979564) is N-[(3-cyclopropylphenyl)methyl]-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-[(3-cyclopropylphenyl)methyl]-1-ethylpyrazol-4-amine?
The canonical SMILES for N-[(3-cyclopropylphenyl)methyl]-1-ethylpyrazol-4-amine is CCn1cc(NCc2cccc(C3CC3)c2)cn1.
What is the InChIKey of N-[(3-cyclopropylphenyl)methyl]-1-ethylpyrazol-4-amine?
The InChIKey is BKFMYLNZGOMACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-18-11-15(10-17-18)16-9-12-4-3-5-14(8-12)13-6-7-13/h3-5,8,10-11,13,16H,2,6-7,9H2,1H3.
What are the key properties of N-[(3-cyclopropylphenyl)methyl]-1-ethylpyrazol-4-amine?
N-[(3-cyclopropylphenyl)methyl]-1-ethylpyrazol-4-amine has a molecular weight of 241.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylphenyl)methyl]-1-ethylpyrazol-4-amine is sourced from PubChem (CID 79979564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).