N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide

C17H17Cl2N5O — CID 55870787

IUPACN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C17H17Cl2N5O/c1-23-10-12(9-21-23)2-5-17(25)22-16-6-7-20-24(16)11-13-3-4-14(18)8-15(13)19/h3-4,6-10H,2,5,11H2,1H3,(H,22,25)
InChIKeyGNBMHPDGRSNMLC-UHFFFAOYSA-N
MW378.26 g/mol
LogP3.54
Rot. Bonds6

About N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 55870787) has the molecular formula C17H17Cl2N5O and a molecular weight of 378.26 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID55870787
Molecular FormulaC17H17Cl2N5O
Molecular Weight378.26 g/mol
Exact Mass377.08
IUPAC NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C17H17Cl2N5O/c1-23-10-12(9-21-23)2-5-17(25)22-16-6-7-20-24(16)11-13-3-4-14(18)8-15(13)19/h3-4,6-10H,2,5,11H2,1H3,(H,22,25)
InChIKeyGNBMHPDGRSNMLC-UHFFFAOYSA-N
XLogP3.54
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35591649
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-(methylamino)butanamide
CID 119695467
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 16601738
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
CID 47020457
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 16568057
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-thiophen-3-ylacetamide
CID 18096280
N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35531684
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazine-2-carboxamide
CID 16567956
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4,5-trimethoxybenzamide
CID 55435526
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 55640204
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide
CID 51248287
N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87026855

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide (CID 55870787) is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is GNBMHPDGRSNMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O/c1-23-10-12(9-21-23)2-5-17(25)22-16-6-7-20-24(16)11-13-3-4-14(18)8-15(13)19/h3-4,6-10H,2,5,11H2,1H3,(H,22,25).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 378.26 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 55870787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).