N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide

C16H15Cl2N5O — CID 19285438

IUPACN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide
SMILESO=C(CCn1cc(Cl)cn1)Nc1ccn(Cc2ccccc2Cl)n1
InChIInChI=1S/C16H15Cl2N5O/c17-13-9-19-22(11-13)8-6-16(24)20-15-5-7-23(21-15)10-12-3-1-2-4-14(12)18/h1-5,7,9,11H,6,8,10H2,(H,20,21,24)
InChIKeyXCHIWXAEZULKMM-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.46
Rot. Bonds6

About N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide

N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide (PubChem CID 19285438) has the molecular formula C16H15Cl2N5O and a molecular weight of 364.24 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide
PubChem CID19285438
Molecular FormulaC16H15Cl2N5O
Molecular Weight364.24 g/mol
Exact Mass363.07
IUPAC NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide
SMILESO=C(CCn1cc(Cl)cn1)Nc1ccn(Cc2ccccc2Cl)n1
InChIInChI=1S/C16H15Cl2N5O/c17-13-9-19-22(11-13)8-6-16(24)20-15-5-7-23(21-15)10-12-3-1-2-4-14(12)18/h1-5,7,9,11H,6,8,10H2,(H,20,21,24)
InChIKeyXCHIWXAEZULKMM-UHFFFAOYSA-N
XLogP3.46
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloropyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19539633
3-(4-chloropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 19539596
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19285441
4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496154
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539586
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524916
3-(4-bromopyrazol-1-yl)-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19561835
1-[3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483009
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559627
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19285346
3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19339532
3-[4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471259

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide (CID 19285438) is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide is O=C(CCn1cc(Cl)cn1)Nc1ccn(Cc2ccccc2Cl)n1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide?
The InChIKey is XCHIWXAEZULKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O/c17-13-9-19-22(11-13)8-6-16(24)20-15-5-7-23(21-15)10-12-3-1-2-4-14(12)18/h1-5,7,9,11H,6,8,10H2,(H,20,21,24).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide?
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide has a molecular weight of 364.24 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide is sourced from PubChem (CID 19285438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).