N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide

C24H25N5O2S2 — CID 66786410

IUPACN-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESO=C(Nc1[nH]nc2sc(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)cc12)c1cccs1
InChIInChI=1S/C24H25N5O2S2/c30-22(19-10-7-13-32-19)26-21-17-14-20(33-24(17)28-27-21)23(31)25-18(16-8-3-1-4-9-16)15-29-11-5-2-6-12-29/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,25,31)(H2,26,27,28,30)/t18-/m1/s1
InChIKeyPRYFBJYHBRDWJM-GOSISDBHSA-N
MW479.63 g/mol
LogP4.90
Rot. Bonds7

About N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide

N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 66786410) has the molecular formula C24H25N5O2S2 and a molecular weight of 479.63 g/mol. Its IUPAC name is N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID66786410
Molecular FormulaC24H25N5O2S2
Molecular Weight479.63 g/mol
Exact Mass479.14
IUPAC NameN-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESO=C(Nc1[nH]nc2sc(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)cc12)c1cccs1
InChIInChI=1S/C24H25N5O2S2/c30-22(19-10-7-13-32-19)26-21-17-14-20(33-24(17)28-27-21)23(31)25-18(16-8-3-1-4-9-16)15-29-11-5-2-6-12-29/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,25,31)(H2,26,27,28,30)/t18-/m1/s1
InChIKeyPRYFBJYHBRDWJM-GOSISDBHSA-N
XLogP4.90
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 11177292
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CID 67398673
N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401518
3-(1-methylpyrrol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70755650
N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67158470
3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11847344
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CID 969744
N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
CID 114300019
N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 31697369
3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 24505123
5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
CID 95595921
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 60505090

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 66786410) is N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide is O=C(Nc1[nH]nc2sc(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)cc12)c1cccs1.
What is the InChIKey of N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is PRYFBJYHBRDWJM-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25N5O2S2/c30-22(19-10-7-13-32-19)26-21-17-14-20(33-24(17)28-27-21)23(31)25-18(16-8-3-1-4-9-16)15-29-11-5-2-6-12-29/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,25,31)(H2,26,27,28,30)/t18-/m1/s1.
What are the key properties of N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 479.63 g/mol, XLogP of 4.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 66786410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).