N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H22ClN5O — CID 30037469

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C19H22ClN5O/c1-13-16(14(2)24(3)23-13)8-9-19(26)22-18-10-11-21-25(18)12-15-6-4-5-7-17(15)20/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,26)
InChIKeyYMWJUUCYRWUSFS-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.51
Rot. Bonds6

About N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 30037469) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID30037469
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C19H22ClN5O/c1-13-16(14(2)24(3)23-13)8-9-19(26)22-18-10-11-21-25(18)12-15-6-4-5-7-17(15)20/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,26)
InChIKeyYMWJUUCYRWUSFS-UHFFFAOYSA-N
XLogP3.51
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16600619
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CID 16560066
N-[3-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630834
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86914651
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16600622
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide
CID 52759135
N-(2-benzylpyrazol-3-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
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N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methylphenyl)sulfanylacetamide
CID 52772463
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 38663684
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4248327
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 30037469) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)Nc1ccnn1Cc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is YMWJUUCYRWUSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-13-16(14(2)24(3)23-13)8-9-19(26)22-18-10-11-21-25(18)12-15-6-4-5-7-17(15)20/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,26).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 371.87 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 30037469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).