4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide

C18H24ClN5O2 — CID 143263527

IUPAC4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide
SMILESCCC(CCCNC)NC(=O)c1[nH]ncc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClN5O2/c1-3-14(5-4-10-20-2)22-18(26)16-15(11-21-24-16)23-17(25)12-6-8-13(19)9-7-12/h6-9,11,14,20H,3-5,10H2,1-2H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyUVTUZHWHRDHDPY-UHFFFAOYSA-N
MW377.88 g/mol
LogP2.82
Rot. Bonds9

About 4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide

4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 143263527) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID143263527
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide
SMILESCCC(CCCNC)NC(=O)c1[nH]ncc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClN5O2/c1-3-14(5-4-10-20-2)22-18(26)16-15(11-21-24-16)23-17(25)12-6-8-13(19)9-7-12/h6-9,11,14,20H,3-5,10H2,1-2H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyUVTUZHWHRDHDPY-UHFFFAOYSA-N
XLogP2.82
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-formyl-1H-pyrazol-4-yl)-4-phosphanylbenzamide;1-N-methylpentane-1,3-diamine
CID 142995079
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide
CID 118297463
N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 68991326
4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide
CID 63106670
(3R)-3-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-5-methylhexanoic acid
CID 126440968
N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide
CID 96564832
8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid
CID 126640594
4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 69378981
N-[5-(propan-2-ylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 69379543
5-chloro-N-hexan-3-yl-2-(propylamino)benzamide
CID 63498965
3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide
CID 4842606
4-[(2,6-difluorobenzoyl)amino]-N-(2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 70304735

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide (CID 143263527) is 4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide is CCC(CCCNC)NC(=O)c1[nH]ncc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is UVTUZHWHRDHDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c1-3-14(5-4-10-20-2)22-18(26)16-15(11-21-24-16)23-17(25)12-6-8-13(19)9-7-12/h6-9,11,14,20H,3-5,10H2,1-2H3,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide?
4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 377.88 g/mol, XLogP of 2.82, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 143263527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).