N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide

C8H9N5O — CID 60975279

IUPACN-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1cn[nH]c1
InChIInChI=1S/C8H9N5O/c14-8(6-3-11-12-4-6)9-5-7-1-2-10-13-7/h1-4H,5H2,(H,9,14)(H,10,13)(H,11,12)
InChIKeyWEJLSENJMVXPCI-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.06
Rot. Bonds3

About N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide

N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 60975279) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID60975279
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1cn[nH]c1
InChIInChI=1S/C8H9N5O/c14-8(6-3-11-12-4-6)9-5-7-1-2-10-13-7/h1-4H,5H2,(H,9,14)(H,10,13)(H,11,12)
InChIKeyWEJLSENJMVXPCI-UHFFFAOYSA-N
XLogP0.06
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 47204233
2-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridine-4-carboxamide
CID 103764061
5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazine-2-carboxamide
CID 47285811
6-(dimethylamino)-N-(1H-pyrazol-5-ylmethyl)pyridine-3-carboxamide
CID 47351026
2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790
4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 137435463
N-[[4-(bromomethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 107233872
3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 103706824
2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 114344962
N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 60967720
3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 61284863
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide (CID 60975279) is N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide is O=C(NCc1ccn[nH]1)c1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is WEJLSENJMVXPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c14-8(6-3-11-12-4-6)9-5-7-1-2-10-13-7/h1-4H,5H2,(H,9,14)(H,10,13)(H,11,12).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide?
N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 191.19 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60975279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).