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

C16H17N5O2 — CID 56894149

IUPACN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)c3ccn[nH]3)cn2)c1
InChIInChI=1S/C16H17N5O2/c1-20(16(22)15-6-7-17-19-15)10-12-9-18-21(11-12)13-4-3-5-14(8-13)23-2/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyRIFNKJCCPQQSJC-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.88
Rot. Bonds5

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

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 56894149) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID56894149
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)c3ccn[nH]3)cn2)c1
InChIInChI=1S/C16H17N5O2/c1-20(16(22)15-6-7-17-19-15)10-12-9-18-21(11-12)13-4-3-5-14(8-13)23-2/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyRIFNKJCCPQQSJC-UHFFFAOYSA-N
XLogP1.88
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 56894149) is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide is COc1cccc(-n2cc(CN(C)C(=O)c3ccn[nH]3)cn2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is RIFNKJCCPQQSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-20(16(22)15-6-7-17-19-15)10-12-9-18-21(11-12)13-4-3-5-14(8-13)23-2/h3-9,11H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide?
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 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]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56894149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).