5-amino-3-(3-chloro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide

C14H17ClN6O2 — CID 86701912

IUPAC5-amino-3-(3-chloro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2ccc(N3CCOCC3)c(Cl)c2)n[nH]c1N
InChIInChI=1S/C14H17ClN6O2/c15-9-7-8(1-2-10(9)21-3-5-23-6-4-21)18-14-11(13(17)22)12(16)19-20-14/h1-2,7H,3-6H2,(H2,17,22)(H4,16,18,19,20)
InChIKeyIBMDVAHUUVETRB-UHFFFAOYSA-N
MW336.78 g/mol
LogP1.32
Rot. Bonds4

About 5-amino-3-(3-chloro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide

5-amino-3-(3-chloro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide (PubChem CID 86701912) has the molecular formula C14H17ClN6O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 5-amino-3-(3-chloro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(3-chloro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide
PubChem CID86701912
Molecular FormulaC14H17ClN6O2
Molecular Weight336.78 g/mol
Exact Mass336.11
IUPAC Name5-amino-3-(3-chloro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2ccc(N3CCOCC3)c(Cl)c2)n[nH]c1N
InChIInChI=1S/C14H17ClN6O2/c15-9-7-8(1-2-10(9)21-3-5-23-6-4-21)18-14-11(13(17)22)12(16)19-20-14/h1-2,7H,3-6H2,(H2,17,22)(H4,16,18,19,20)
InChIKeyIBMDVAHUUVETRB-UHFFFAOYSA-N
XLogP1.32
TPSA122.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-((3-chloro-4-fluorophenyl)amino)-1H-pyrazole-4-carboxamide
CID 86701885
5-amino-3-((4-(4-fluoropiperidin-1-yl)phenyl)amino)-1H-pyrazole-4-carboxamide
CID 121410211
5-(3-chloroanilino)-3-(2-phenylethylamino)-1H-pyrazole-4-carboxamide
CID 71765107
5-amino-3-((3-chlorophenyl)amino)-1H-pyrazole-4-carboxamide
CID 86698956
5-amino-3-((4-(2-oxomorpholino)phenyl)amino)-1H-pyrazole-4-carboxamide
CID 86701913
5-(3-chloroanilino)-3-(piperidin-4-ylmethylideneamino)-1H-pyrazole-4-carboxamide
CID 89821619
5-(3-chloroanilino)-3-[(6-oxo-1H-pyridin-3-yl)methylamino]-1H-pyrazole-4-carboxamide
CID 89903483
5-(3-chloroanilino)-3-(piperidin-4-ylmethylamino)-1H-pyrazole-4-carboxamide
CID 89903491
5-amino-3-((4-(3-oxomorpholino)phenyl)amino)-1H-pyrazole-4-carboxamide
CID 121410148
5-amino-3-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide
CID 121410158
5-amino-3-((3-chloro-4-((2S,6R)-2,6-dimethylmorpholino)phenyl)amino)-1H-pyrazole-4-carboxamide
CID 121410166
5-amino-3-((4-(4-chloropiperidin-1-yl)phenyl)amino)-1H-pyrazole-4-carboxamide
CID 121410167

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-chloro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(3-chloro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide (CID 86701912) is 5-amino-3-(3-chloro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(3-chloro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(3-chloro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide is NC(=O)c1c(Nc2ccc(N3CCOCC3)c(Cl)c2)n[nH]c1N.
What is the InChIKey of 5-amino-3-(3-chloro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide?
The InChIKey is IBMDVAHUUVETRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O2/c15-9-7-8(1-2-10(9)21-3-5-23-6-4-21)18-14-11(13(17)22)12(16)19-20-14/h1-2,7H,3-6H2,(H2,17,22)(H4,16,18,19,20).
What are the key properties of 5-amino-3-(3-chloro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide?
5-amino-3-(3-chloro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 1.32, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-chloro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86701912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).