N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide

C21H23N5O2 — CID 8929450

IUPACN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCCCCCc1[nH]nc(N)c1C#N
InChIInChI=1S/C21H23N5O2/c1-28-19-12-15-8-5-4-7-14(15)11-16(19)21(27)24-10-6-2-3-9-18-17(13-22)20(23)26-25-18/h4-5,7-8,11-12H,2-3,6,9-10H2,1H3,(H,24,27)(H3,23,25,26)
InChIKeyVITGMJMBCHYONQ-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.17
Rot. Bonds8

About N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide

N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 8929450) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID8929450
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCCCCCc1[nH]nc(N)c1C#N
InChIInChI=1S/C21H23N5O2/c1-28-19-12-15-8-5-4-7-14(15)11-16(19)21(27)24-10-6-2-3-9-18-17(13-22)20(23)26-25-18/h4-5,7-8,11-12H,2-3,6,9-10H2,1H3,(H,24,27)(H3,23,25,26)
InChIKeyVITGMJMBCHYONQ-UHFFFAOYSA-N
XLogP3.17
TPSA116.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 25371723
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8840552
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 154761382
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8889404
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-(2-nitroanilino)propanamide
CID 154761383
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]cyclohexanecarboxamide
CID 8929445
N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide
CID 24517721
[2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 8663640
3-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-2-carboxamide
CID 17446662
2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine
CID 110913352
3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile
CID 18095349

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide (CID 8929450) is N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NCCCCCc1[nH]nc(N)c1C#N.
What is the InChIKey of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is VITGMJMBCHYONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-28-19-12-15-8-5-4-7-14(15)11-16(19)21(27)24-10-6-2-3-9-18-17(13-22)20(23)26-25-18/h4-5,7-8,11-12H,2-3,6,9-10H2,1H3,(H,24,27)(H3,23,25,26).
What are the key properties of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide?
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 8929450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).