N-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C19H14N4OS — CID 696745

IUPACN-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NN=Cc1cccc2ccccc12)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C19H14N4OS/c24-19(17-11-16(21-22-17)18-9-4-10-25-18)23-20-12-14-7-3-6-13-5-1-2-8-15(13)14/h1-12H,(H,21,22)(H,23,24)
InChIKeyYPXWEIZLJVCZFT-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.06
Rot. Bonds4

About N-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 696745) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID696745
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC NameN-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NN=Cc1cccc2ccccc12)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C19H14N4OS/c24-19(17-11-16(21-22-17)18-9-4-10-25-18)23-20-12-14-7-3-6-13-5-1-2-8-15(13)14/h1-12H,(H,21,22)(H,23,24)
InChIKeyYPXWEIZLJVCZFT-UHFFFAOYSA-N
XLogP4.06
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-naphthalen-1-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5395131
N-(anthracen-9-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 2321358
N-[(Z)-pyridin-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5402476
N-[(3-hydroxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 2048137
N-[(E)-pyridin-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 6888654
5-thiophen-2-yl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 1185019
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 696541
4-[[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 761739
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 6900035
N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5402665
N-[(4-methylsulfanylphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 761333
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 6891374

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 696745) is N-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(NN=Cc1cccc2ccccc12)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is YPXWEIZLJVCZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c24-19(17-11-16(21-22-17)18-9-4-10-25-18)23-20-12-14-7-3-6-13-5-1-2-8-15(13)14/h1-12H,(H,21,22)(H,23,24).
What are the key properties of N-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 696745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).