N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C18H20N6O3S — CID 19509273

IUPACN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(-c3cccs3)[nH]n2)c1C(=O)N1CCOCC1
InChIInChI=1S/C18H20N6O3S/c1-2-24-16(18(26)23-5-7-27-8-6-23)14(11-19-24)20-17(25)13-10-12(21-22-13)15-4-3-9-28-15/h3-4,9-11H,2,5-8H2,1H3,(H,20,25)(H,21,22)
InChIKeyRXVJCFSCDBMQRX-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.08
Rot. Bonds5

About N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 19509273) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID19509273
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC NameN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(-c3cccs3)[nH]n2)c1C(=O)N1CCOCC1
InChIInChI=1S/C18H20N6O3S/c1-2-24-16(18(26)23-5-7-27-8-6-23)14(11-19-24)20-17(25)13-10-12(21-22-13)15-4-3-9-28-15/h3-4,9-11H,2,5-8H2,1H3,(H,20,25)(H,21,22)
InChIKeyRXVJCFSCDBMQRX-UHFFFAOYSA-N
XLogP2.08
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338846
N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 112834593
3-(4-chlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509579
3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19510190
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-4-methoxybenzamide
CID 19338897
3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19513463
4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 19338922
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55791101
3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338842
4-[[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496360
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-methoxy-2-methylbenzamide
CID 19338984
1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea
CID 19449716

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 19509273) is N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is CCn1ncc(NC(=O)c2cc(-c3cccs3)[nH]n2)c1C(=O)N1CCOCC1.
What is the InChIKey of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is RXVJCFSCDBMQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S/c1-2-24-16(18(26)23-5-7-27-8-6-23)14(11-19-24)20-17(25)13-10-12(21-22-13)15-4-3-9-28-15/h3-4,9-11H,2,5-8H2,1H3,(H,20,25)(H,21,22).
What are the key properties of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19509273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).