N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

C25H29N5O4 — CID 25371723

IUPACN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCCCCc2[nH]nc(N)c2C#N)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H29N5O4/c1-32-21-13-18(14-22(33-2)23(21)34-16-17-9-5-3-6-10-17)25(31)28-12-8-4-7-11-20-19(15-26)24(27)30-29-20/h3,5-6,9-10,13-14H,4,7-8,11-12,16H2,1-2H3,(H,28,31)(H3,27,29,30)
InChIKeyXVTOJPBCRAZHQY-UHFFFAOYSA-N
MW463.54 g/mol
LogP3.60
Rot. Bonds12

About N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (PubChem CID 25371723) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
PubChem CID25371723
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC NameN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCCCCc2[nH]nc(N)c2C#N)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H29N5O4/c1-32-21-13-18(14-22(33-2)23(21)34-16-17-9-5-3-6-10-17)25(31)28-12-8-4-7-11-20-19(15-26)24(27)30-29-20/h3,5-6,9-10,13-14H,4,7-8,11-12,16H2,1-2H3,(H,28,31)(H3,27,29,30)
InChIKeyXVTOJPBCRAZHQY-UHFFFAOYSA-N
XLogP3.60
TPSA135.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide
CID 8929450
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8840552
N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide
CID 25210199
3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide
CID 4602601
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 154761382
3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 9456714
N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide
CID 3289624
N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24512905
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55707132
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (CID 25371723) is N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)NCCCCCc2[nH]nc(N)c2C#N)cc(OC)c1OCc1ccccc1.
What is the InChIKey of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The InChIKey is XVTOJPBCRAZHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-32-21-13-18(14-22(33-2)23(21)34-16-17-9-5-3-6-10-17)25(31)28-12-8-4-7-11-20-19(15-26)24(27)30-29-20/h3,5-6,9-10,13-14H,4,7-8,11-12,16H2,1-2H3,(H,28,31)(H3,27,29,30).
What are the key properties of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide has a molecular weight of 463.54 g/mol, XLogP of 3.60, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 25371723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).