N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-phenylcyclopropane-1-carboxamide

C19H23N3O2 — CID 129001081

IUPACN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-phenylcyclopropane-1-carboxamide
SMILESCn1cc([C@H]2OCCC[C@@H]2NC(=O)C2CC2c2ccccc2)cn1
InChIInChI=1S/C19H23N3O2/c1-22-12-14(11-20-22)18-17(8-5-9-24-18)21-19(23)16-10-15(16)13-6-3-2-4-7-13/h2-4,6-7,11-12,15-18H,5,8-10H2,1H3,(H,21,23)/t15?,16?,17-,18+/m0/s1
InChIKeyBVHNZDLIXKDWNU-ZGUYJTEBSA-N
MW325.41 g/mol
LogP2.56
Rot. Bonds4

About N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-phenylcyclopropane-1-carboxamide

N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 129001081) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-phenylcyclopropane-1-carboxamide
PubChem CID129001081
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-phenylcyclopropane-1-carboxamide
SMILESCn1cc([C@H]2OCCC[C@@H]2NC(=O)C2CC2c2ccccc2)cn1
InChIInChI=1S/C19H23N3O2/c1-22-12-14(11-20-22)18-17(8-5-9-24-18)21-19(23)16-10-15(16)13-6-3-2-4-7-13/h2-4,6-7,11-12,15-18H,5,8-10H2,1H3,(H,21,23)/t15?,16?,17-,18+/m0/s1
InChIKeyBVHNZDLIXKDWNU-ZGUYJTEBSA-N
XLogP2.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-phenylcyclopropane-1-carboxamide (CID 129001081) is N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-phenylcyclopropane-1-carboxamide is Cn1cc([C@H]2OCCC[C@@H]2NC(=O)C2CC2c2ccccc2)cn1.
What is the InChIKey of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is BVHNZDLIXKDWNU-ZGUYJTEBSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22-12-14(11-20-22)18-17(8-5-9-24-18)21-19(23)16-10-15(16)13-6-3-2-4-7-13/h2-4,6-7,11-12,15-18H,5,8-10H2,1H3,(H,21,23)/t15?,16?,17-,18+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-phenylcyclopropane-1-carboxamide?
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 129001081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).