N-(1-ethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide

C19H26N4O2S — CID 118432902

IUPACN-(1-ethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
SMILESCCn1cc(NC(=O)c2csc([C@@H]3C[C@H]3NCC3CCOCC3)c2)cn1
InChIInChI=1S/C19H26N4O2S/c1-2-23-11-15(10-21-23)22-19(24)14-7-18(26-12-14)16-8-17(16)20-9-13-3-5-25-6-4-13/h7,10-13,16-17,20H,2-6,8-9H2,1H3,(H,22,24)/t16-,17-/m1/s1
InChIKeyQACZJXDKVHPKRR-IAGOWNOFSA-N
MW374.51 g/mol
LogP3.09
Rot. Bonds7

About N-(1-ethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide

N-(1-ethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide (PubChem CID 118432902) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
PubChem CID118432902
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-(1-ethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
SMILESCCn1cc(NC(=O)c2csc([C@@H]3C[C@H]3NCC3CCOCC3)c2)cn1
InChIInChI=1S/C19H26N4O2S/c1-2-23-11-15(10-21-23)22-19(24)14-7-18(26-12-14)16-8-17(16)20-9-13-3-5-25-6-4-13/h7,10-13,16-17,20H,2-6,8-9H2,1H3,(H,22,24)/t16-,17-/m1/s1
InChIKeyQACZJXDKVHPKRR-IAGOWNOFSA-N
XLogP3.09
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide (CID 118432902) is N-(1-ethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide is CCn1cc(NC(=O)c2csc([C@@H]3C[C@H]3NCC3CCOCC3)c2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
The InChIKey is QACZJXDKVHPKRR-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-2-23-11-15(10-21-23)22-19(24)14-7-18(26-12-14)16-8-17(16)20-9-13-3-5-25-6-4-13/h7,10-13,16-17,20H,2-6,8-9H2,1H3,(H,22,24)/t16-,17-/m1/s1.
What are the key properties of N-(1-ethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
N-(1-ethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 118432902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).