5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide

C18H21N5O2 — CID 70760642

IUPAC5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCCn1cc(CNC(=O)c2cn[nH]c2-c2cccc(OC)c2)cn1
InChIInChI=1S/C18H21N5O2/c1-3-7-23-12-13(10-21-23)9-19-18(24)16-11-20-22-17(16)14-5-4-6-15(8-14)25-2/h4-6,8,10-12H,3,7,9H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyDPBSTGCRBXXULF-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.62
Rot. Bonds7

About 5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide

5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 70760642) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID70760642
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCCn1cc(CNC(=O)c2cn[nH]c2-c2cccc(OC)c2)cn1
InChIInChI=1S/C18H21N5O2/c1-3-7-23-12-13(10-21-23)9-19-18(24)16-11-20-22-17(16)14-5-4-6-15(8-14)25-2/h4-6,8,10-12H,3,7,9H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyDPBSTGCRBXXULF-UHFFFAOYSA-N
XLogP2.62
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
5-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824347
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide
CID 119060130
N-[(3-butoxyphenyl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55846230
N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 70723908
N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 91789362
N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 25299123
methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate
CID 17415360
5-(3-bromophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824478
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 70751468

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide (CID 70760642) is 5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide is CCCn1cc(CNC(=O)c2cn[nH]c2-c2cccc(OC)c2)cn1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is DPBSTGCRBXXULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-7-23-12-13(10-21-23)9-19-18(24)16-11-20-22-17(16)14-5-4-6-15(8-14)25-2/h4-6,8,10-12H,3,7,9H2,1-2H3,(H,19,24)(H,20,22).
What are the key properties of 5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70760642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).