5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid

C22H30N4O3 — CID 122028391

IUPAC5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid
SMILESCc1nn(C)c(C)c1C1CCCN1C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C22H30N4O3/c1-15-21(16(2)25(3)24-15)19-10-7-13-26(19)22(29)23-18(11-12-20(27)28)14-17-8-5-4-6-9-17/h4-6,8-9,18-19H,7,10-14H2,1-3H3,(H,23,29)(H,27,28)
InChIKeyWQQRIZQRIQROTE-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.36
Rot. Bonds7

About 5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid

5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid (PubChem CID 122028391) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid
PubChem CID122028391
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid
SMILESCc1nn(C)c(C)c1C1CCCN1C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C22H30N4O3/c1-15-21(16(2)25(3)24-15)19-10-7-13-26(19)22(29)23-18(11-12-20(27)28)14-17-8-5-4-6-9-17/h4-6,8-9,18-19H,7,10-14H2,1-3H3,(H,23,29)(H,27,28)
InChIKeyWQQRIZQRIQROTE-UHFFFAOYSA-N
XLogP3.36
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 99134606
4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028373
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[[2-[2-(ethylamino)-2-oxoethyl]piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027859
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 75507962
(2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95735802
4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027266
4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid
CID 122028366
3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95978340
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid (CID 122028391) is 5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid is Cc1nn(C)c(C)c1C1CCCN1C(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid?
The InChIKey is WQQRIZQRIQROTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-15-21(16(2)25(3)24-15)19-10-7-13-26(19)22(29)23-18(11-12-20(27)28)14-17-8-5-4-6-9-17/h4-6,8-9,18-19H,7,10-14H2,1-3H3,(H,23,29)(H,27,28).
What are the key properties of 5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid?
5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid has a molecular weight of 398.51 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 122028391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).