4-bromo-5-ethyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide

C15H18BrN5O2 — CID 118485019

IUPAC4-bromo-5-ethyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)c1Br
InChIInChI=1S/C15H18BrN5O2/c1-2-10-13(16)14(21-20-10)15(22)19-9-3-4-11(18-7-9)12-8-17-5-6-23-12/h3-4,7,12,17H,2,5-6,8H2,1H3,(H,19,22)(H,20,21)/t12-/m1/s1
InChIKeyWCNOBNHQXIOZJX-GFCCVEGCSA-N
MW380.25 g/mol
LogP2.04
Rot. Bonds4

About 4-bromo-5-ethyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide

4-bromo-5-ethyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide (PubChem CID 118485019) has the molecular formula C15H18BrN5O2 and a molecular weight of 380.25 g/mol. Its IUPAC name is 4-bromo-5-ethyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-ethyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
PubChem CID118485019
Molecular FormulaC15H18BrN5O2
Molecular Weight380.25 g/mol
Exact Mass379.06
IUPAC Name4-bromo-5-ethyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)c1Br
InChIInChI=1S/C15H18BrN5O2/c1-2-10-13(16)14(21-20-10)15(22)19-9-3-4-11(18-7-9)12-8-17-5-6-23-12/h3-4,7,12,17H,2,5-6,8H2,1H3,(H,19,22)(H,20,21)/t12-/m1/s1
InChIKeyWCNOBNHQXIOZJX-GFCCVEGCSA-N
XLogP2.04
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-ethyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide (CID 118485019) is 4-bromo-5-ethyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-ethyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-ethyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)c1Br.
What is the InChIKey of 4-bromo-5-ethyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
The InChIKey is WCNOBNHQXIOZJX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18BrN5O2/c1-2-10-13(16)14(21-20-10)15(22)19-9-3-4-11(18-7-9)12-8-17-5-6-23-12/h3-4,7,12,17H,2,5-6,8H2,1H3,(H,19,22)(H,20,21)/t12-/m1/s1.
What are the key properties of 4-bromo-5-ethyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
4-bromo-5-ethyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide has a molecular weight of 380.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118485019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).