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

C9H12N6O — CID 79523487

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCn1ncc(CNC(=O)c2cn[nH]c2)c1N
InChIInChI=1S/C9H12N6O/c1-15-8(10)6(5-14-15)2-11-9(16)7-3-12-13-4-7/h3-5H,2,10H2,1H3,(H,11,16)(H,12,13)
InChIKeyUNYYYAMKWKOASD-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.34
Rot. Bonds3

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

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 79523487) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID79523487
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCn1ncc(CNC(=O)c2cn[nH]c2)c1N
InChIInChI=1S/C9H12N6O/c1-15-8(10)6(5-14-15)2-11-9(16)7-3-12-13-4-7/h3-5H,2,10H2,1H3,(H,11,16)(H,12,13)
InChIKeyUNYYYAMKWKOASD-UHFFFAOYSA-N
XLogP-0.34
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 79523593
N-[(5-amino-1-methylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 79523860
N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 79524448
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide
CID 79524187
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-indole-6-carboxamide
CID 79523236
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 79523767
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea
CID 79523783
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxythiophene-2-carboxamide
CID 81118505
3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea
CID 79524208
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-hydroxy-4-methoxybenzamide
CID 79524203
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide
CID 79523235
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 107015976

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide (CID 79523487) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide is Cn1ncc(CNC(=O)c2cn[nH]c2)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is UNYYYAMKWKOASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-15-8(10)6(5-14-15)2-11-9(16)7-3-12-13-4-7/h3-5H,2,10H2,1H3,(H,11,16)(H,12,13).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 220.24 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 79523487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).