4-(1H-pyrazole-5-carbonylamino)butanoic acid

C8H11N3O3 — CID 43355123

IUPAC4-(1H-pyrazole-5-carbonylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C8H11N3O3/c12-7(13)2-1-4-9-8(14)6-3-5-10-11-6/h3,5H,1-2,4H2,(H,9,14)(H,10,11)(H,12,13)
InChIKeyTXDAWKRCWXQSRI-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.00
Rot. Bonds5

About 4-(1H-pyrazole-5-carbonylamino)butanoic acid

4-(1H-pyrazole-5-carbonylamino)butanoic acid (PubChem CID 43355123) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-(1H-pyrazole-5-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-(1H-pyrazole-5-carbonylamino)butanoic acid
PubChem CID43355123
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name4-(1H-pyrazole-5-carbonylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C8H11N3O3/c12-7(13)2-1-4-9-8(14)6-3-5-10-11-6/h3,5H,1-2,4H2,(H,9,14)(H,10,11)(H,12,13)
InChIKeyTXDAWKRCWXQSRI-UHFFFAOYSA-N
XLogP0.00
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
CID 127026695
n-Methyl-1h-pyrazole-3-carboxamide
CID 19704574
N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 53017380
1H-Pyrazole-3-carboxamide, N-(2-hydroxyethyl)-
CID 2061007
N~3~-isobutyl-1H-pyrazole-3-carboxamide
CID 53017403
N-tert-Butyl-1H-pyrazole-5-carboxamide
CID 23279698
Ethane-1,2-diamine, N,N'-bis(3-pyrazolylcarbonyl)-
CID 565685
N-(4,4-difluorocyclohexyl)-1H-pyrazole-5-carboxamide
CID 121021903
3-[3-(Methylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64777796
N-(2-aminoethyl)-1H-pyrazole-5-carboxamide hydrochloride
CID 71758320
N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
CID 53538100
(2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid
CID 81658947

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazole-5-carbonylamino)butanoic acid?
The IUPAC name of 4-(1H-pyrazole-5-carbonylamino)butanoic acid (CID 43355123) is 4-(1H-pyrazole-5-carbonylamino)butanoic acid.
What is the SMILES notation for 4-(1H-pyrazole-5-carbonylamino)butanoic acid?
The canonical SMILES for 4-(1H-pyrazole-5-carbonylamino)butanoic acid is O=C(O)CCCNC(=O)c1ccn[nH]1.
What is the InChIKey of 4-(1H-pyrazole-5-carbonylamino)butanoic acid?
The InChIKey is TXDAWKRCWXQSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-7(13)2-1-4-9-8(14)6-3-5-10-11-6/h3,5H,1-2,4H2,(H,9,14)(H,10,11)(H,12,13).
What are the key properties of 4-(1H-pyrazole-5-carbonylamino)butanoic acid?
4-(1H-pyrazole-5-carbonylamino)butanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazole-5-carbonylamino)butanoic acid is sourced from PubChem (CID 43355123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).