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

C8H9N5O — CID 60967720

IUPACN-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cn[nH]c1)c1ccn[nH]1
InChIInChI=1S/C8H9N5O/c14-8(7-1-2-10-13-7)9-3-6-4-11-12-5-6/h1-2,4-5H,3H2,(H,9,14)(H,10,13)(H,11,12)
InChIKeyRQPFJOUPAGCFAU-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.06
Rot. Bonds3

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

N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 60967720) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID60967720
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC NameN-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cn[nH]c1)c1ccn[nH]1
InChIInChI=1S/C8H9N5O/c14-8(7-1-2-10-13-7)9-3-6-4-11-12-5-6/h1-2,4-5H,3H2,(H,9,14)(H,10,13)(H,11,12)
InChIKeyRQPFJOUPAGCFAU-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

N-[[4-(chloromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 107233397
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
N-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 130942246
N-[(4-carbamothioylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 63080309
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
N-(1H-pyrazol-4-ylmethyl)pyrazine-2-carboxamide
CID 60736174
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61375925
4-carbamothioyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982080
3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829412
2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981
N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 60975279
2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736201

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-carboxamide (CID 60967720) is N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-carboxamide is O=C(NCc1cn[nH]c1)c1ccn[nH]1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RQPFJOUPAGCFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c14-8(7-1-2-10-13-7)9-3-6-4-11-12-5-6/h1-2,4-5H,3H2,(H,9,14)(H,10,13)(H,11,12).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-carboxamide?
N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-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-4-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 60967720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).