N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-imidazole-2-carboxamide

C10H13N5O2 — CID 56869578

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-imidazole-2-carboxamide
SMILESCOCc1cc(CNC(=O)c2ncc[nH]2)[nH]n1
InChIInChI=1S/C10H13N5O2/c1-17-6-8-4-7(14-15-8)5-13-10(16)9-11-2-3-12-9/h2-4H,5-6H2,1H3,(H,11,12)(H,13,16)(H,14,15)
InChIKeyIIDPEUHHNIIWII-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.21
Rot. Bonds5

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-imidazole-2-carboxamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-imidazole-2-carboxamide (PubChem CID 56869578) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-imidazole-2-carboxamide
PubChem CID56869578
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-imidazole-2-carboxamide
SMILESCOCc1cc(CNC(=O)c2ncc[nH]2)[nH]n1
InChIInChI=1S/C10H13N5O2/c1-17-6-8-4-7(14-15-8)5-13-10(16)9-11-2-3-12-9/h2-4H,5-6H2,1H3,(H,11,12)(H,13,16)(H,14,15)
InChIKeyIIDPEUHHNIIWII-UHFFFAOYSA-N
XLogP0.21
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-imidazole-2-carboxamide (CID 56869578) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-imidazole-2-carboxamide is COCc1cc(CNC(=O)c2ncc[nH]2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-imidazole-2-carboxamide?
The InChIKey is IIDPEUHHNIIWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-17-6-8-4-7(14-15-8)5-13-10(16)9-11-2-3-12-9/h2-4H,5-6H2,1H3,(H,11,12)(H,13,16)(H,14,15).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-imidazole-2-carboxamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-imidazole-2-carboxamide has a molecular weight of 235.25 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 56869578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).