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

C9H12N6O — CID 79531339

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cn[nH]c2N)n[nH]1
InChIInChI=1S/C9H12N6O/c1-5-2-7(14-13-5)9(16)11-3-6-4-12-15-8(6)10/h2,4H,3H2,1H3,(H,11,16)(H,13,14)(H3,10,12,15)
InChIKeyJZYLWJTTWFHWLL-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.05
Rot. Bonds3

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

N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 79531339) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID79531339
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cn[nH]c2N)n[nH]1
InChIInChI=1S/C9H12N6O/c1-5-2-7(14-13-5)9(16)11-3-6-4-12-15-8(6)10/h2,4H,3H2,1H3,(H,11,16)(H,13,14)(H3,10,12,15)
InChIKeyJZYLWJTTWFHWLL-UHFFFAOYSA-N
XLogP-0.05
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-2-chlorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47446049
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide
CID 114022797
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide
CID 79530307
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide
CID 80537776
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-methylfuran-2-carboxamide
CID 79530310
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 79529836
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide
CID 79529688
N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 79531188
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide
CID 79530127
4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 61140004
N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 130978682
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-methyl-4-nitrobenzamide
CID 79530745

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 79531339) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2cn[nH]c2N)n[nH]1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is JZYLWJTTWFHWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-5-2-7(14-13-5)9(16)11-3-6-4-12-15-8(6)10/h2,4H,3H2,1H3,(H,11,16)(H,13,14)(H3,10,12,15).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 220.24 g/mol, XLogP of -0.05, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 79531339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).