3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid

C18H17N3O2 — CID 11992591

IUPAC3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(N(Cc2ccccc2)Cc2ccccc2)n[nH]1
InChIInChI=1S/C18H17N3O2/c22-18(23)16-11-17(20-19-16)21(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H,19,20)(H,22,23)
InChIKeyDHNNREFPFBFZQO-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.31
Rot. Bonds6

About 3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid

3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid (PubChem CID 11992591) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid
PubChem CID11992591
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(N(Cc2ccccc2)Cc2ccccc2)n[nH]1
InChIInChI=1S/C18H17N3O2/c22-18(23)16-11-17(20-19-16)21(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H,19,20)(H,22,23)
InChIKeyDHNNREFPFBFZQO-UHFFFAOYSA-N
XLogP3.31
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(thiophen-3-ylmethyl)amino]-1H-pyrazole-5-carboxylic acid
CID 11961288
3-(Benzylamino)-1H-pyrazole-5-carboxylic acid
CID 11992586
1-[(4-Fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 154636989
5-[(4-Methylbenzoyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid
CID 154636998
1-Benzyl-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168271053
1-[(3,5-Dimethylphenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168274334
1-[(2-Fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168276760
1-(Cyclohexylmethyl)-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168283280
1-[(3-Fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168293652
5-[(4-Methylbenzoyl)amino]-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid
CID 168296742
3-[bis(2-phenylethyl)amino]-1H-pyrazole-5-carboxylic acid
CID 11992688
3-[bis[(3-fluorophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid
CID 11992789

Frequently Asked Questions

What is the IUPAC name of 3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid (CID 11992591) is 3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(N(Cc2ccccc2)Cc2ccccc2)n[nH]1.
What is the InChIKey of 3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid?
The InChIKey is DHNNREFPFBFZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(23)16-11-17(20-19-16)21(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H,19,20)(H,22,23).
What are the key properties of 3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid?
3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 11992591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).