N-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide

C11H13N3OS — CID 38610687

IUPACN-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide
SMILESC[C@H](Cn1cccn1)NC(=O)c1ccsc1
InChIInChI=1S/C11H13N3OS/c1-9(7-14-5-2-4-12-14)13-11(15)10-3-6-16-8-10/h2-6,8-9H,7H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeyRVBZBPHVRFZKON-SECBINFHSA-N
MW235.31 g/mol
LogP1.76
Rot. Bonds4

About N-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide

N-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide (PubChem CID 38610687) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide
PubChem CID38610687
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide
SMILESC[C@H](Cn1cccn1)NC(=O)c1ccsc1
InChIInChI=1S/C11H13N3OS/c1-9(7-14-5-2-4-12-14)13-11(15)10-3-6-16-8-10/h2-6,8-9H,7H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeyRVBZBPHVRFZKON-SECBINFHSA-N
XLogP1.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{1-[2-(1,2-oxazinan-2-yl)-2-oxoethyl]-1H-pyrazol-4-yl}-3-thiophenecarboxamide
CID 26278203
N-(2-propylpyrazol-3-yl)thiophene-3-carboxamide
CID 38995415
N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 43074999
1-Methyl-3-(1-pyrazol-1-ylpropan-2-yl)-1-(thiophen-3-ylmethyl)urea
CID 45831697
N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-carboxamide
CID 45887140
N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 53499696
N-methyl-2-(1-pyrazol-1-ylpropan-2-ylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 53529910
N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}thiophene-3-carboxamide
CID 71808003
N-(3-carbamoylthiophen-2-yl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 17144361
N-(3-carbamoylthiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 17144363
N-(3-cyanothiophen-2-yl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 17144374
N-(3-cyanothiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 25843655

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide (CID 38610687) is N-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide is C[C@H](Cn1cccn1)NC(=O)c1ccsc1.
What is the InChIKey of N-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide?
The InChIKey is RVBZBPHVRFZKON-SECBINFHSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-9(7-14-5-2-4-12-14)13-11(15)10-3-6-16-8-10/h2-6,8-9H,7H2,1H3,(H,13,15)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide?
N-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-pyrazol-1-ylpropan-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 38610687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).