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

C17H23N5O2 — CID 118485072

IUPAC5-butyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
SMILESCCCCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-2-3-4-12-9-15(22-21-12)17(23)20-13-5-6-14(19-10-13)16-11-18-7-8-24-16/h5-6,9-10,16,18H,2-4,7-8,11H2,1H3,(H,20,23)(H,21,22)/t16-/m1/s1
InChIKeyRNLSRHLFNAVXAU-MRXNPFEDSA-N
MW329.40 g/mol
LogP2.06
Rot. Bonds6

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

5-butyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide (PubChem CID 118485072) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-butyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-butyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
PubChem CID118485072
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name5-butyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
SMILESCCCCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-2-3-4-12-9-15(22-21-12)17(23)20-13-5-6-14(19-10-13)16-11-18-7-8-24-16/h5-6,9-10,16,18H,2-4,7-8,11H2,1H3,(H,20,23)(H,21,22)/t16-/m1/s1
InChIKeyRNLSRHLFNAVXAU-MRXNPFEDSA-N
XLogP2.06
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-butyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 3-(pyridin-2-yl)-1H-pyrazole-5-carboxylate
CID 612416
N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-6-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548306
US9840501, Example 98
CID 118484928
US9840501, Example 79
CID 118484939
US9840501, Example 116
CID 118484959
US9840501, Example 114
CID 118484961
US9840501, Example 96
CID 118484985
US9840501, Example 83
CID 118484992
US9840501, Example 121
CID 118485017
US9840501, Example 92
CID 118485042
US9840501, Example 86
CID 118485052
US9840501, Example 80
CID 118485059

Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-butyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide (CID 118485072) is 5-butyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-butyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-butyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide is CCCCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)n[nH]1.
What is the InChIKey of 5-butyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
The InChIKey is RNLSRHLFNAVXAU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-3-4-12-9-15(22-21-12)17(23)20-13-5-6-14(19-10-13)16-11-18-7-8-24-16/h5-6,9-10,16,18H,2-4,7-8,11H2,1H3,(H,20,23)(H,21,22)/t16-/m1/s1.
What are the key properties of 5-butyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
5-butyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118485072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).