4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid

C19H23N5O3 — CID 122020743

IUPAC4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1
InChIInChI=1S/C19H23N5O3/c25-18(26)15-3-1-13(2-4-15)12-20-19(27)24-9-7-23(8-10-24)17-11-16(21-22-17)14-5-6-14/h1-4,11,14H,5-10,12H2,(H,20,27)(H,21,22)(H,25,26)
InChIKeyRRVIJIKJTZGJIN-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.02
Rot. Bonds5

About 4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid

4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid (PubChem CID 122020743) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid
PubChem CID122020743
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1
InChIInChI=1S/C19H23N5O3/c25-18(26)15-3-1-13(2-4-15)12-20-19(27)24-9-7-23(8-10-24)17-11-16(21-22-17)14-5-6-14/h1-4,11,14H,5-10,12H2,(H,20,27)(H,21,22)(H,25,26)
InChIKeyRRVIJIKJTZGJIN-UHFFFAOYSA-N
XLogP2.02
TPSA101.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide
CID 126772601
4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019557
4-[(piperazine-1-carbonylamino)methyl]benzoic acid
CID 61405049
4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019942
4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133
4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019610
4-[[(4-phenyl-1,4-diazepane-1-carbonyl)amino]methyl]benzoic acid
CID 122019732
4-[[(4-cyclopropylsulfonyl-1,4-diazepane-1-carbonyl)amino]methyl]benzoic acid
CID 122020475
4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide
CID 127942123
4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
CID 126793673
4-[[[4-(2-methylpropanoyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019575
4-[[[(3S)-3-hydroxypiperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020589

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid (CID 122020743) is 4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1.
What is the InChIKey of 4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid?
The InChIKey is RRVIJIKJTZGJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-18(26)15-3-1-13(2-4-15)12-20-19(27)24-9-7-23(8-10-24)17-11-16(21-22-17)14-5-6-14/h1-4,11,14H,5-10,12H2,(H,20,27)(H,21,22)(H,25,26).
What are the key properties of 4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid?
4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid has a molecular weight of 369.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 122020743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).