4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid

C19H24N4O3 — CID 122074917

IUPAC4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C19H24N4O3/c1-19(2,11-10-17(24)25)21-18(26)20-16-12-15(13-8-9-13)22-23(16)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,24,25)(H2,20,21,26)
InChIKeyPZZGOCAICHBJAX-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.51
Rot. Bonds7

About 4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid

4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 122074917) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid
PubChem CID122074917
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C19H24N4O3/c1-19(2,11-10-17(24)25)21-18(26)20-16-12-15(13-8-9-13)22-23(16)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,24,25)(H2,20,21,26)
InChIKeyPZZGOCAICHBJAX-UHFFFAOYSA-N
XLogP3.51
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid (CID 122074917) is 4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)Nc1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is PZZGOCAICHBJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-19(2,11-10-17(24)25)21-18(26)20-16-12-15(13-8-9-13)22-23(16)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,24,25)(H2,20,21,26).
What are the key properties of 4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid?
4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 356.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122074917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).