(3-cyclopropyl-1H-pyrazol-5-yl)methyl formate

C8H10N2O2 — CID 174936218

IUPAC(3-cyclopropyl-1H-pyrazol-5-yl)methyl formate
SMILESO=COCc1cc(C2CC2)n[nH]1
InChIInChI=1S/C8H10N2O2/c11-5-12-4-7-3-8(10-9-7)6-1-2-6/h3,5-6H,1-2,4H2,(H,9,10)
InChIKeyGUUXOOYHNHOTIW-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.96
Rot. Bonds4

About (3-cyclopropyl-1H-pyrazol-5-yl)methyl formate

(3-cyclopropyl-1H-pyrazol-5-yl)methyl formate (PubChem CID 174936218) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (3-cyclopropyl-1H-pyrazol-5-yl)methyl formate.

Molecular Properties

Compound Name(3-cyclopropyl-1H-pyrazol-5-yl)methyl formate
PubChem CID174936218
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(3-cyclopropyl-1H-pyrazol-5-yl)methyl formate
SMILESO=COCc1cc(C2CC2)n[nH]1
InChIInChI=1S/C8H10N2O2/c11-5-12-4-7-3-8(10-9-7)6-1-2-6/h3,5-6H,1-2,4H2,(H,9,10)
InChIKeyGUUXOOYHNHOTIW-UHFFFAOYSA-N
XLogP0.96
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate
CID 8027609
5-Cyclopropyl-1H-pyrazole-3-methanol
CID 45382086
methyl 5-cyclopropyl-1H-pyrazole-3-carboxylate
CID 6623277
1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl formate
CID 174949406
3-Butyl-5-(methoxymethyl)-1H-pyrazole
CID 14987393
5-Isopropyl-3-(methoxymethyl)-1H-pyrazole
CID 45095933
3-(4-methyl-1,3-dioxetan-2-yl)-5-propyl-1H-pyrazole
CID 67573231
(trans)-4-(5-(Methoxymethyl)-1H-pyrazol-3-yl)cyclohexanamine
CID 68230428
3-ethyl-5-(methoxymethyl)-1H-pyrazole
CID 117905502
3-(2-methoxypropan-2-yl)-5-methyl-1H-pyrazole
CID 129919123
(3-propan-2-yl-1H-pyrazol-5-yl)methyl hypoiodite
CID 139365150
5-(ethoxymethyl)-3-ethyl-1H-pyrazole
CID 170601780

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1H-pyrazol-5-yl)methyl formate?
The IUPAC name of (3-cyclopropyl-1H-pyrazol-5-yl)methyl formate (CID 174936218) is (3-cyclopropyl-1H-pyrazol-5-yl)methyl formate.
What is the SMILES notation for (3-cyclopropyl-1H-pyrazol-5-yl)methyl formate?
The canonical SMILES for (3-cyclopropyl-1H-pyrazol-5-yl)methyl formate is O=COCc1cc(C2CC2)n[nH]1.
What is the InChIKey of (3-cyclopropyl-1H-pyrazol-5-yl)methyl formate?
The InChIKey is GUUXOOYHNHOTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-5-12-4-7-3-8(10-9-7)6-1-2-6/h3,5-6H,1-2,4H2,(H,9,10).
What are the key properties of (3-cyclopropyl-1H-pyrazol-5-yl)methyl formate?
(3-cyclopropyl-1H-pyrazol-5-yl)methyl formate has a molecular weight of 166.18 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1H-pyrazol-5-yl)methyl formate is sourced from PubChem (CID 174936218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).