2-chloro-N-ethyl-N-propan-2-yl-5-(1H-pyrazol-4-ylcarbamoylamino)benzamide

C16H20ClN5O2 — CID 122146984

IUPAC2-chloro-N-ethyl-N-propan-2-yl-5-(1H-pyrazol-4-ylcarbamoylamino)benzamide
SMILESCCN(C(=O)c1cc(NC(=O)Nc2cn[nH]c2)ccc1Cl)C(C)C
InChIInChI=1S/C16H20ClN5O2/c1-4-22(10(2)3)15(23)13-7-11(5-6-14(13)17)20-16(24)21-12-8-18-19-9-12/h5-10H,4H2,1-3H3,(H,18,19)(H2,20,21,24)
InChIKeyHARCLVLVUQYCRF-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.58
Rot. Bonds5

About 2-chloro-N-ethyl-N-propan-2-yl-5-(1H-pyrazol-4-ylcarbamoylamino)benzamide

2-chloro-N-ethyl-N-propan-2-yl-5-(1H-pyrazol-4-ylcarbamoylamino)benzamide (PubChem CID 122146984) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-propan-2-yl-5-(1H-pyrazol-4-ylcarbamoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-propan-2-yl-5-(1H-pyrazol-4-ylcarbamoylamino)benzamide
PubChem CID122146984
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name2-chloro-N-ethyl-N-propan-2-yl-5-(1H-pyrazol-4-ylcarbamoylamino)benzamide
SMILESCCN(C(=O)c1cc(NC(=O)Nc2cn[nH]c2)ccc1Cl)C(C)C
InChIInChI=1S/C16H20ClN5O2/c1-4-22(10(2)3)15(23)13-7-11(5-6-14(13)17)20-16(24)21-12-8-18-19-9-12/h5-10H,4H2,1-3H3,(H,18,19)(H2,20,21,24)
InChIKeyHARCLVLVUQYCRF-UHFFFAOYSA-N
XLogP3.58
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-ethyl-N-propan-2-yl-5-(1H-pyrazol-4-ylcarbamoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]carbamoyl-methylamino]propanoic acid
CID 122091945
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea
CID 60577073
1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea
CID 166194501
(3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 124888658
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 42659109
4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide
CID 52680605
2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid
CID 107209397
2-methyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 62671333
1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95130503
tert-butyl N-[4-chloro-3-(diethylcarbamoyl)phenyl]carbamate
CID 46831746
2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide
CID 97244800

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-propan-2-yl-5-(1H-pyrazol-4-ylcarbamoylamino)benzamide?
The IUPAC name of 2-chloro-N-ethyl-N-propan-2-yl-5-(1H-pyrazol-4-ylcarbamoylamino)benzamide (CID 122146984) is 2-chloro-N-ethyl-N-propan-2-yl-5-(1H-pyrazol-4-ylcarbamoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-propan-2-yl-5-(1H-pyrazol-4-ylcarbamoylamino)benzamide?
The canonical SMILES for 2-chloro-N-ethyl-N-propan-2-yl-5-(1H-pyrazol-4-ylcarbamoylamino)benzamide is CCN(C(=O)c1cc(NC(=O)Nc2cn[nH]c2)ccc1Cl)C(C)C.
What is the InChIKey of 2-chloro-N-ethyl-N-propan-2-yl-5-(1H-pyrazol-4-ylcarbamoylamino)benzamide?
The InChIKey is HARCLVLVUQYCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-4-22(10(2)3)15(23)13-7-11(5-6-14(13)17)20-16(24)21-12-8-18-19-9-12/h5-10H,4H2,1-3H3,(H,18,19)(H2,20,21,24).
What are the key properties of 2-chloro-N-ethyl-N-propan-2-yl-5-(1H-pyrazol-4-ylcarbamoylamino)benzamide?
2-chloro-N-ethyl-N-propan-2-yl-5-(1H-pyrazol-4-ylcarbamoylamino)benzamide has a molecular weight of 349.82 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-propan-2-yl-5-(1H-pyrazol-4-ylcarbamoylamino)benzamide is sourced from PubChem (CID 122146984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).