2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid

C10H16N4O3 — CID 61198130

IUPAC2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)Nc1cnn(C)c1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-3-4-8(9(15)16)13-10(17)12-7-5-11-14(2)6-7/h5-6,8H,3-4H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyYPQXHXPOXMIBTB-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.79
Rot. Bonds5

About 2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid

2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid (PubChem CID 61198130) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid
PubChem CID61198130
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)Nc1cnn(C)c1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-3-4-8(9(15)16)13-10(17)12-7-5-11-14(2)6-7/h5-6,8H,3-4H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyYPQXHXPOXMIBTB-UHFFFAOYSA-N
XLogP0.79
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 107826218
2-[(1-methylpyrazol-4-yl)carbamoylamino]-3-phenylpropanoic acid
CID 61199623
2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 61199626
2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 43630219
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 61198123
(2R)-3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 103927622
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea
CID 111473435
(2S)-2-hydroxy-4-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 107838447
1-butyl-3-(1-methylpyrazol-4-yl)urea
CID 115581879
(2S)-2-(pyrimidin-5-ylcarbamoylamino)hexanoic acid
CID 107589159
2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 66166738
2-butyl-N-(1-methylpyrazol-4-yl)hexanamide
CID 139359487

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid (CID 61198130) is 2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid is CCCC(NC(=O)Nc1cnn(C)c1)C(=O)O.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid?
The InChIKey is YPQXHXPOXMIBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-4-8(9(15)16)13-10(17)12-7-5-11-14(2)6-7/h5-6,8H,3-4H2,1-2H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid?
2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 61198130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).