5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide

C18H23N5O2 — CID 95227280

IUPAC5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H23N5O2/c24-18(16-10-15(21-22-16)13-3-4-13)20-12-17(14-2-1-5-19-11-14)23-6-8-25-9-7-23/h1-2,5,10-11,13,17H,3-4,6-9,12H2,(H,20,24)(H,21,22)/t17-/m0/s1
InChIKeyIWLVZAFITBZRDD-KRWDZBQOSA-N
MW341.42 g/mol
LogP1.49
Rot. Bonds6

About 5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide (PubChem CID 95227280) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
PubChem CID95227280
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H23N5O2/c24-18(16-10-15(21-22-16)13-3-4-13)20-12-17(14-2-1-5-19-11-14)23-6-8-25-9-7-23/h1-2,5,10-11,13,17H,3-4,6-9,12H2,(H,20,24)(H,21,22)/t17-/m0/s1
InChIKeyIWLVZAFITBZRDD-KRWDZBQOSA-N
XLogP1.49
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide (CID 95227280) is 5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide is O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is IWLVZAFITBZRDD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-18(16-10-15(21-22-16)13-3-4-13)20-12-17(14-2-1-5-19-11-14)23-6-8-25-9-7-23/h1-2,5,10-11,13,17H,3-4,6-9,12H2,(H,20,24)(H,21,22)/t17-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95227280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).