4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid

C19H27N5O3 — CID 122089922

IUPAC4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid
SMILESCCCc1c(NC(=O)NC(C)(C)CCC(=O)O)cnn1-c1cc(C)ccn1
InChIInChI=1S/C19H27N5O3/c1-5-6-15-14(12-21-24(15)16-11-13(2)8-10-20-16)22-18(27)23-19(3,4)9-7-17(25)26/h8,10-12H,5-7,9H2,1-4H3,(H,25,26)(H2,22,23,27)
InChIKeyWNVQNRDXPOISRF-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.29
Rot. Bonds8

About 4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid

4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid (PubChem CID 122089922) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid
PubChem CID122089922
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid
SMILESCCCc1c(NC(=O)NC(C)(C)CCC(=O)O)cnn1-c1cc(C)ccn1
InChIInChI=1S/C19H27N5O3/c1-5-6-15-14(12-21-24(15)16-11-13(2)8-10-20-16)22-18(27)23-19(3,4)9-7-17(25)26/h8,10-12H,5-7,9H2,1-4H3,(H,25,26)(H2,22,23,27)
InChIKeyWNVQNRDXPOISRF-UHFFFAOYSA-N
XLogP3.29
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid
CID 122091735
2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid
CID 122089926
4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid
CID 122088445
4-[(2-bromo-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82766558
4-[(1-butyl-5-propan-2-ylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 122091426
N-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine
CID 66439553
4-methyl-4-[[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamoylamino]pentanoic acid
CID 122085105
3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid
CID 122089630
4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid
CID 122087152
4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid
CID 122092568
4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122087422
4-[(4-bromo-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62049442

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid (CID 122089922) is 4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid is CCCc1c(NC(=O)NC(C)(C)CCC(=O)O)cnn1-c1cc(C)ccn1.
What is the InChIKey of 4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid?
The InChIKey is WNVQNRDXPOISRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-5-6-15-14(12-21-24(15)16-11-13(2)8-10-20-16)22-18(27)23-19(3,4)9-7-17(25)26/h8,10-12H,5-7,9H2,1-4H3,(H,25,26)(H2,22,23,27).
What are the key properties of 4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid?
4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid has a molecular weight of 373.46 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 122089922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).