N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide

C14H16N4OS — CID 21083426

IUPACN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide
SMILESO=C(NC1CN2CC[C@H]1C2)n1cc(-c2ccsc2)cn1
InChIInChI=1S/C14H16N4OS/c19-14(16-13-8-17-3-1-10(13)6-17)18-7-12(5-15-18)11-2-4-20-9-11/h2,4-5,7,9-10,13H,1,3,6,8H2,(H,16,19)/t10-,13?/m0/s1
InChIKeyWRZGEQRJKFYSGV-NKUHCKNESA-N
MW288.38 g/mol
LogP1.87
Rot. Bonds2

About N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide

N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide (PubChem CID 21083426) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide
PubChem CID21083426
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide
SMILESO=C(NC1CN2CC[C@H]1C2)n1cc(-c2ccsc2)cn1
InChIInChI=1S/C14H16N4OS/c19-14(16-13-8-17-3-1-10(13)6-17)18-7-12(5-15-18)11-2-4-20-9-11/h2,4-5,7,9-10,13H,1,3,6,8H2,(H,16,19)/t10-,13?/m0/s1
InChIKeyWRZGEQRJKFYSGV-NKUHCKNESA-N
XLogP1.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-phenylpyrazole-1-carboxamide
CID 10085928
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-methylsulfanylpyrazole-1-carboxamide
CID 10015784
N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 59113572
2-(2-amino-5-thiophen-3-ylphenyl)-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-iminoacetamide
CID 142878764
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyanopyrrole-1-carboxamide
CID 21083403
2-(4-thiophen-3-ylpyrazol-1-yl)acetic acid
CID 121213998
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(3-hydroxyphenyl)-1,3-thiazole-2-carboxamide
CID 20815096
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-(3-methoxyphenyl)pyrrole-1-carboxamide
CID 21083395
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzothiophene-5-carboxamide
CID 23529193
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide
CID 22350586
N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide
CID 22481780
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 23599504

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide?
The IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide (CID 21083426) is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide.
What is the SMILES notation for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide?
The canonical SMILES for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide is O=C(NC1CN2CC[C@H]1C2)n1cc(-c2ccsc2)cn1.
What is the InChIKey of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide?
The InChIKey is WRZGEQRJKFYSGV-NKUHCKNESA-N. The full InChI is InChI=1S/C14H16N4OS/c19-14(16-13-8-17-3-1-10(13)6-17)18-7-12(5-15-18)11-2-4-20-9-11/h2,4-5,7,9-10,13H,1,3,6,8H2,(H,16,19)/t10-,13?/m0/s1.
What are the key properties of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide?
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide is sourced from PubChem (CID 21083426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).