4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide

C19H24ClN5O — CID 55809198

IUPAC4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H24ClN5O/c1-23-18-7-3-6-17(16(18)13-21-23)22-19(26)25-10-8-24(9-11-25)15-5-2-4-14(20)12-15/h2,4-5,12-13,17H,3,6-11H2,1H3,(H,22,26)
InChIKeyFVZYCQUSVRPJCV-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.98
Rot. Bonds2

About 4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide

4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide (PubChem CID 55809198) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide
PubChem CID55809198
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H24ClN5O/c1-23-18-7-3-6-17(16(18)13-21-23)22-19(26)25-10-8-24(9-11-25)15-5-2-4-14(20)12-15/h2,4-5,12-13,17H,3,6-11H2,1H3,(H,22,26)
InChIKeyFVZYCQUSVRPJCV-UHFFFAOYSA-N
XLogP2.98
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 48510020
6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 62233294
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
(1S,6S)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 124855741
(3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide
CID 95194911
N-(4-chloro-2-fluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43716682
5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide
CID 47166057
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975163
1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 86892884
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]benzoic acid
CID 43254716
6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 115497317
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 61213666

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide (CID 55809198) is 4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide is Cn1ncc2c1CCCC2NC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide?
The InChIKey is FVZYCQUSVRPJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-23-18-7-3-6-17(16(18)13-21-23)22-19(26)25-10-8-24(9-11-25)15-5-2-4-14(20)12-15/h2,4-5,12-13,17H,3,6-11H2,1H3,(H,22,26).
What are the key properties of 4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide has a molecular weight of 373.89 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 55809198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).