5-[3-[4-(1-morpholin-3-ylpropylamino)anilino]-1H-pyrazol-5-yl]thiophene-2-carboxamide

C21H26N6O2S — CID 175207931

IUPAC5-[3-[4-(1-morpholin-3-ylpropylamino)anilino]-1H-pyrazol-5-yl]thiophene-2-carboxamide
SMILESCCC(Nc1ccc(Nc2cc(-c3ccc(C(N)=O)s3)[nH]n2)cc1)C1COCCN1
InChIInChI=1S/C21H26N6O2S/c1-2-15(17-12-29-10-9-23-17)24-13-3-5-14(6-4-13)25-20-11-16(26-27-20)18-7-8-19(30-18)21(22)28/h3-8,11,15,17,23-24H,2,9-10,12H2,1H3,(H2,22,28)(H2,25,26,27)
InChIKeyTWGNPIUVUXJJPA-UHFFFAOYSA-N
MW426.55 g/mol
LogP3.16
Rot. Bonds8

About 5-[3-[4-(1-morpholin-3-ylpropylamino)anilino]-1H-pyrazol-5-yl]thiophene-2-carboxamide

5-[3-[4-(1-morpholin-3-ylpropylamino)anilino]-1H-pyrazol-5-yl]thiophene-2-carboxamide (PubChem CID 175207931) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is 5-[3-[4-(1-morpholin-3-ylpropylamino)anilino]-1H-pyrazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[3-[4-(1-morpholin-3-ylpropylamino)anilino]-1H-pyrazol-5-yl]thiophene-2-carboxamide
PubChem CID175207931
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC Name5-[3-[4-(1-morpholin-3-ylpropylamino)anilino]-1H-pyrazol-5-yl]thiophene-2-carboxamide
SMILESCCC(Nc1ccc(Nc2cc(-c3ccc(C(N)=O)s3)[nH]n2)cc1)C1COCCN1
InChIInChI=1S/C21H26N6O2S/c1-2-15(17-12-29-10-9-23-17)24-13-3-5-14(6-4-13)25-20-11-16(26-27-20)18-7-8-19(30-18)21(22)28/h3-8,11,15,17,23-24H,2,9-10,12H2,1H3,(H2,22,28)(H2,25,26,27)
InChIKeyTWGNPIUVUXJJPA-UHFFFAOYSA-N
XLogP3.16
TPSA117.09 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 53.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(1-morpholin-3-ylpropylamino)anilino]-1H-pyrazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[3-[4-(1-morpholin-3-ylpropylamino)anilino]-1H-pyrazol-5-yl]thiophene-2-carboxamide (CID 175207931) is 5-[3-[4-(1-morpholin-3-ylpropylamino)anilino]-1H-pyrazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[3-[4-(1-morpholin-3-ylpropylamino)anilino]-1H-pyrazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[3-[4-(1-morpholin-3-ylpropylamino)anilino]-1H-pyrazol-5-yl]thiophene-2-carboxamide is CCC(Nc1ccc(Nc2cc(-c3ccc(C(N)=O)s3)[nH]n2)cc1)C1COCCN1.
What is the InChIKey of 5-[3-[4-(1-morpholin-3-ylpropylamino)anilino]-1H-pyrazol-5-yl]thiophene-2-carboxamide?
The InChIKey is TWGNPIUVUXJJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c1-2-15(17-12-29-10-9-23-17)24-13-3-5-14(6-4-13)25-20-11-16(26-27-20)18-7-8-19(30-18)21(22)28/h3-8,11,15,17,23-24H,2,9-10,12H2,1H3,(H2,22,28)(H2,25,26,27).
What are the key properties of 5-[3-[4-(1-morpholin-3-ylpropylamino)anilino]-1H-pyrazol-5-yl]thiophene-2-carboxamide?
5-[3-[4-(1-morpholin-3-ylpropylamino)anilino]-1H-pyrazol-5-yl]thiophene-2-carboxamide has a molecular weight of 426.55 g/mol, XLogP of 3.16, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(1-morpholin-3-ylpropylamino)anilino]-1H-pyrazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 175207931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).