N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide

C11H15N3O2 — CID 129365474

IUPACN-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cnn(C[C@H]2CCCO2)c1
InChIInChI=1S/C11H15N3O2/c1-2-11(15)13-9-6-12-14(7-9)8-10-4-3-5-16-10/h2,6-7,10H,1,3-5,8H2,(H,13,15)/t10-/m1/s1
InChIKeyKLOCJJGFGPIXEZ-SNVBAGLBSA-N
MW221.26 g/mol
LogP1.19
Rot. Bonds4

About N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide

N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide (PubChem CID 129365474) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
PubChem CID129365474
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cnn(C[C@H]2CCCO2)c1
InChIInChI=1S/C11H15N3O2/c1-2-11(15)13-9-6-12-14(7-9)8-10-4-3-5-16-10/h2,6-7,10H,1,3-5,8H2,(H,13,15)/t10-/m1/s1
InChIKeyKLOCJJGFGPIXEZ-SNVBAGLBSA-N
XLogP1.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 60842431
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
1-hexyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037443
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide
CID 64992205
1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
2-(1-hydroxycyclopentyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 111432419
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 94815064
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide?
The IUPAC name of N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide (CID 129365474) is N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide?
The canonical SMILES for N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide is C=CC(=O)Nc1cnn(C[C@H]2CCCO2)c1.
What is the InChIKey of N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide?
The InChIKey is KLOCJJGFGPIXEZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-11(15)13-9-6-12-14(7-9)8-10-4-3-5-16-10/h2,6-7,10H,1,3-5,8H2,(H,13,15)/t10-/m1/s1.
What are the key properties of N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide?
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide has a molecular weight of 221.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 129365474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).