6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid

C10H16N4O3 — CID 61209750

IUPAC6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H16N4O3/c15-9(16)4-2-1-3-5-11-10(17)14-8-6-12-13-7-8/h6-7H,1-5H2,(H,12,13)(H,15,16)(H2,11,14,17)
InChIKeyRJMWQKRPBIUCPZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.18
Rot. Bonds7

About 6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid

6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid (PubChem CID 61209750) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid
PubChem CID61209750
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H16N4O3/c15-9(16)4-2-1-3-5-11-10(17)14-8-6-12-13-7-8/h6-7H,1-5H2,(H,12,13)(H,15,16)(H2,11,14,17)
InChIKeyRJMWQKRPBIUCPZ-UHFFFAOYSA-N
XLogP1.18
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-fluorophenyl)carbamoylamino]heptanoic acid
CID 24689965
(2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid
CID 114007193
5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 106215666
15-[[2-(trifluoromethyl)pyrimidin-5-yl]carbamoylamino]pentadecanoic acid
CID 162455201
6-[(3,5-difluorophenyl)carbamoylamino]hexanoic acid
CID 61189558
7-[(4-bromophenyl)carbamoylamino]heptanoic acid
CID 61190824
2-(1H-pyrazol-4-ylcarbamoylamino)acetamide
CID 130682682
6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid
CID 61185640
5-[(3,4-dichlorophenyl)carbamoylamino]pentanoic acid
CID 4083960
6-[(3,4-dimethylphenyl)carbamoylamino]hexanoic acid
CID 61190966
2-methyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 62671333
6-[(4-ethylphenyl)carbamoylamino]hexanoic acid
CID 61189525

Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid?
The IUPAC name of 6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid (CID 61209750) is 6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid?
The canonical SMILES for 6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid is O=C(O)CCCCCNC(=O)Nc1cn[nH]c1.
What is the InChIKey of 6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid?
The InChIKey is RJMWQKRPBIUCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-9(16)4-2-1-3-5-11-10(17)14-8-6-12-13-7-8/h6-7H,1-5H2,(H,12,13)(H,15,16)(H2,11,14,17).
What are the key properties of 6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid?
6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.18, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 61209750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).