1-(1-benzylpyrazol-4-yl)-N-[2-(2-ethylpyrazol-3-yl)ethyl]ethanamine

C19H25N5 — CID 167766931

IUPAC1-(1-benzylpyrazol-4-yl)-N-[2-(2-ethylpyrazol-3-yl)ethyl]ethanamine
SMILESCCn1nccc1CCNC(C)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H25N5/c1-3-24-19(10-12-21-24)9-11-20-16(2)18-13-22-23(15-18)14-17-7-5-4-6-8-17/h4-8,10,12-13,15-16,20H,3,9,11,14H2,1-2H3
InChIKeyCUFGSTDENTYLHP-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.04
Rot. Bonds8

About 1-(1-benzylpyrazol-4-yl)-N-[2-(2-ethylpyrazol-3-yl)ethyl]ethanamine

1-(1-benzylpyrazol-4-yl)-N-[2-(2-ethylpyrazol-3-yl)ethyl]ethanamine (PubChem CID 167766931) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)-N-[2-(2-ethylpyrazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)-N-[2-(2-ethylpyrazol-3-yl)ethyl]ethanamine
PubChem CID167766931
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name1-(1-benzylpyrazol-4-yl)-N-[2-(2-ethylpyrazol-3-yl)ethyl]ethanamine
SMILESCCn1nccc1CCNC(C)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H25N5/c1-3-24-19(10-12-21-24)9-11-20-16(2)18-13-22-23(15-18)14-17-7-5-4-6-8-17/h4-8,10,12-13,15-16,20H,3,9,11,14H2,1-2H3
InChIKeyCUFGSTDENTYLHP-UHFFFAOYSA-N
XLogP3.04
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide
CID 75390241
(1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine
CID 97108308
N-[1-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62732148
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
5-(2-chloroethyl)-1-ethylpyrazole
CID 63974716
N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine
CID 63012963
3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 62717964
N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62729973
2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine
CID 83899641
2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120993484
N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine
CID 133416847
N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine
CID 62731966

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-[2-(2-ethylpyrazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-[2-(2-ethylpyrazol-3-yl)ethyl]ethanamine (CID 167766931) is 1-(1-benzylpyrazol-4-yl)-N-[2-(2-ethylpyrazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)-N-[2-(2-ethylpyrazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)-N-[2-(2-ethylpyrazol-3-yl)ethyl]ethanamine is CCn1nccc1CCNC(C)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)-N-[2-(2-ethylpyrazol-3-yl)ethyl]ethanamine?
The InChIKey is CUFGSTDENTYLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-3-24-19(10-12-21-24)9-11-20-16(2)18-13-22-23(15-18)14-17-7-5-4-6-8-17/h4-8,10,12-13,15-16,20H,3,9,11,14H2,1-2H3.
What are the key properties of 1-(1-benzylpyrazol-4-yl)-N-[2-(2-ethylpyrazol-3-yl)ethyl]ethanamine?
1-(1-benzylpyrazol-4-yl)-N-[2-(2-ethylpyrazol-3-yl)ethyl]ethanamine has a molecular weight of 323.44 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-4-yl)-N-[2-(2-ethylpyrazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 167766931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).