N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide

C9H13N3O2 — CID 64992205

IUPACN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide
SMILESO=CNc1cnn(CC2CCCO2)c1
InChIInChI=1S/C9H13N3O2/c13-7-10-8-4-11-12(5-8)6-9-2-1-3-14-9/h4-5,7,9H,1-3,6H2,(H,10,13)
InChIKeyUWPOQZQNYXLPBC-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.63
Rot. Bonds4

About N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide (PubChem CID 64992205) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide
PubChem CID64992205
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide
SMILESO=CNc1cnn(CC2CCCO2)c1
InChIInChI=1S/C9H13N3O2/c13-7-10-8-4-11-12(5-8)6-9-2-1-3-14-9/h4-5,7,9H,1-3,6H2,(H,10,13)
InChIKeyUWPOQZQNYXLPBC-UHFFFAOYSA-N
XLogP0.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitro-1H-pyrazol-1-yl)-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2901027
1-((oxolan-2-yl)methyl)-1H-pyrazol-4-amine
CID 43185727
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 47327916
2,2,2-trifluoroethyl N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamate
CID 47322533
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 60322623
2,2,2-trifluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 62728591
4-(2,2-difluoroethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 71867123
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 75358385
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958229
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 79792807
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 87036504
(2S)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 95741399

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide (CID 64992205) is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide is O=CNc1cnn(CC2CCCO2)c1.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide?
The InChIKey is UWPOQZQNYXLPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-7-10-8-4-11-12(5-8)6-9-2-1-3-14-9/h4-5,7,9H,1-3,6H2,(H,10,13).
What are the key properties of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide?
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide has a molecular weight of 195.22 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide is sourced from PubChem (CID 64992205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).