N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

C16H19ClN4O2 — CID 154911334

IUPACN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCOc1cccc(-n2cc(CNC(=O)C3C=CCN3)cn2)c1.Cl
InChIInChI=1S/C16H18N4O2.ClH/c1-22-14-5-2-4-13(8-14)20-11-12(10-19-20)9-18-16(21)15-6-3-7-17-15;/h2-6,8,10-11,15,17H,7,9H2,1H3,(H,18,21);1H
InChIKeyZSBLWWUUJQDVPB-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.45
Rot. Bonds5

About N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 154911334) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID154911334
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCOc1cccc(-n2cc(CNC(=O)C3C=CCN3)cn2)c1.Cl
InChIInChI=1S/C16H18N4O2.ClH/c1-22-14-5-2-4-13(8-14)20-11-12(10-19-20)9-18-16(21)15-6-3-7-17-15;/h2-6,8,10-11,15,17H,7,9H2,1H3,(H,18,21);1H
InChIKeyZSBLWWUUJQDVPB-UHFFFAOYSA-N
XLogP1.45
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 131945038
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
CID 131935325
(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 154897157
(2R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 126446890
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 72922589
(2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 97138809
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111251127
5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide
CID 119060130
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
CID 131893501
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 86969971
[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230396

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (CID 154911334) is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is COc1cccc(-n2cc(CNC(=O)C3C=CCN3)cn2)c1.Cl.
What is the InChIKey of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is ZSBLWWUUJQDVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2.ClH/c1-22-14-5-2-4-13(8-14)20-11-12(10-19-20)9-18-16(21)15-6-3-7-17-15;/h2-6,8,10-11,15,17H,7,9H2,1H3,(H,18,21);1H.
What are the key properties of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 334.81 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 154911334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).