N-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide

C15H15N5O2 — CID 91945752

IUPACN-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H15N5O2/c1-20-13(6-9-18-20)15(22)17-8-7-14(21)19-12-4-2-11(10-16)3-5-12/h2-6,9H,7-8H2,1H3,(H,17,22)(H,19,21)
InChIKeyDLTDCCLCNZNBCP-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.05
Rot. Bonds5

About N-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide

N-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide (PubChem CID 91945752) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide
PubChem CID91945752
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H15N5O2/c1-20-13(6-9-18-20)15(22)17-8-7-14(21)19-12-4-2-11(10-16)3-5-12/h2-6,9H,7-8H2,1H3,(H,17,22)(H,19,21)
InChIKeyDLTDCCLCNZNBCP-UHFFFAOYSA-N
XLogP1.05
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide
CID 91945753
2-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]pyrazole-3-carboxamide
CID 91945754
3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
CID 17167946
N-(4-cyanophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 104603109
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)pentanamide
CID 2162994
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956954
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide (CID 91945752) is N-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCCC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is DLTDCCLCNZNBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-20-13(6-9-18-20)15(22)17-8-7-14(21)19-12-4-2-11(10-16)3-5-12/h2-6,9H,7-8H2,1H3,(H,17,22)(H,19,21).
What are the key properties of N-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide?
N-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 91945752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).