N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C20H21N5O3S — CID 55791101

IUPACN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C20H21N5O3S/c26-19(13-25-7-9-28-10-8-25)21-14-3-5-15(6-4-14)22-20(27)17-12-16(23-24-17)18-2-1-11-29-18/h1-6,11-12H,7-10,13H2,(H,21,26)(H,22,27)(H,23,24)
InChIKeyLASDHPHTDSCMPN-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.66
Rot. Bonds6

About N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55791101) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55791101
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC NameN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C20H21N5O3S/c26-19(13-25-7-9-28-10-8-25)21-14-3-5-15(6-4-14)22-20(27)17-12-16(23-24-17)18-2-1-11-29-18/h1-6,11-12H,7-10,13H2,(H,21,26)(H,22,27)(H,23,24)
InChIKeyLASDHPHTDSCMPN-UHFFFAOYSA-N
XLogP2.66
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 112834593
N-[4-(morpholin-4-ylmethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 86911319
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509273
N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55746673
N-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 121141691
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55789159
N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18136368
N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide
CID 118393455
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119101290
4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide
CID 30780727
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90544954

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55791101) is N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)cc1.
What is the InChIKey of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is LASDHPHTDSCMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c26-19(13-25-7-9-28-10-8-25)21-14-3-5-15(6-4-14)22-20(27)17-12-16(23-24-17)18-2-1-11-29-18/h1-6,11-12H,7-10,13H2,(H,21,26)(H,22,27)(H,23,24).
What are the key properties of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55791101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).