(3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide

C12H18N4O2 — CID 97085480

IUPAC(3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCOC[C@H]1C1CC1
InChIInChI=1S/C12H18N4O2/c17-12(13-7-10-3-4-14-15-10)16-5-6-18-8-11(16)9-1-2-9/h3-4,9,11H,1-2,5-8H2,(H,13,17)(H,14,15)/t11-/m0/s1
InChIKeyWOWGSKZLNBOQCF-NSHDSACASA-N
MW250.30 g/mol
LogP0.73
Rot. Bonds3

About (3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide

(3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide (PubChem CID 97085480) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
PubChem CID97085480
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCOC[C@H]1C1CC1
InChIInChI=1S/C12H18N4O2/c17-12(13-7-10-3-4-14-15-10)16-5-6-18-8-11(16)9-1-2-9/h3-4,9,11H,1-2,5-8H2,(H,13,17)(H,14,15)/t11-/m0/s1
InChIKeyWOWGSKZLNBOQCF-NSHDSACASA-N
XLogP0.73
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of (3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide (CID 97085480) is (3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for (3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide is O=C(NCc1ccn[nH]1)N1CCOC[C@H]1C1CC1.
What is the InChIKey of (3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide?
The InChIKey is WOWGSKZLNBOQCF-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N4O2/c17-12(13-7-10-3-4-14-15-10)16-5-6-18-8-11(16)9-1-2-9/h3-4,9,11H,1-2,5-8H2,(H,13,17)(H,14,15)/t11-/m0/s1.
What are the key properties of (3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide?
(3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 97085480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).