N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide

C22H23N5O3 — CID 71827980

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCc3nc4ccccc4[nH]3)[nH]n2)cc1OC
InChIInChI=1S/C22H23N5O3/c1-29-19-10-9-14(12-20(19)30-2)17-13-18(27-26-17)22(28)23-11-5-8-21-24-15-6-3-4-7-16(15)25-21/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)
InChIKeyCMGOGOZRDUYFJQ-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.33
Rot. Bonds8

About N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 71827980) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID71827980
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCc3nc4ccccc4[nH]3)[nH]n2)cc1OC
InChIInChI=1S/C22H23N5O3/c1-29-19-10-9-14(12-20(19)30-2)17-13-18(27-26-17)22(28)23-11-5-8-21-24-15-6-3-4-7-16(15)25-21/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)
InChIKeyCMGOGOZRDUYFJQ-UHFFFAOYSA-N
XLogP3.33
TPSA104.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 30358126
N-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 71827608
4-[[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 119352752
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 24612830
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 75489715
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 110204460
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30358132
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide
CID 42151221
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide
CID 36806947

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 71827980) is N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCCCc3nc4ccccc4[nH]3)[nH]n2)cc1OC.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is CMGOGOZRDUYFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-29-19-10-9-14(12-20(19)30-2)17-13-18(27-26-17)22(28)23-11-5-8-21-24-15-6-3-4-7-16(15)25-21/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,23,28)(H,24,25)(H,26,27).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 3.33, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71827980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).