2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid

C11H17N5O4 — CID 106238927

IUPAC2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid
SMILESNC(=O)CCCCNC(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H17N5O4/c12-9(17)3-1-2-4-13-11(20)15-8-5-14-16(6-8)7-10(18)19/h5-6H,1-4,7H2,(H2,12,17)(H,18,19)(H2,13,15,20)
InChIKeyFAIZEXFVKRUFTO-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.26
Rot. Bonds8

About 2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid

2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid (PubChem CID 106238927) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid
PubChem CID106238927
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid
SMILESNC(=O)CCCCNC(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H17N5O4/c12-9(17)3-1-2-4-13-11(20)15-8-5-14-16(6-8)7-10(18)19/h5-6H,1-4,7H2,(H2,12,17)(H,18,19)(H2,13,15,20)
InChIKeyFAIZEXFVKRUFTO-UHFFFAOYSA-N
XLogP-0.26
TPSA139.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(octylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115569282
2-[4-(4,4,4-trifluorobutylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115521189
2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 61191990
2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
CID 61285548
2-[4-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 102907100
2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 61191363
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 61019050
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
CID 103513201
2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 107586035
2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 65499226

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid (CID 106238927) is 2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid is NC(=O)CCCCNC(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is FAIZEXFVKRUFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c12-9(17)3-1-2-4-13-11(20)15-8-5-14-16(6-8)7-10(18)19/h5-6H,1-4,7H2,(H2,12,17)(H,18,19)(H2,13,15,20).
What are the key properties of 2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid?
2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 283.29 g/mol, XLogP of -0.26, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 106238927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).