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

C19H26N4O2S — CID 138737691

IUPACN-(1-ethylpyrazol-4-yl)-5-[(1R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
SMILESCCn1cc(NC(=O)c2csc([C@@H]3CC3NCC3CCOCC3)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-TZHYSIJRSA-N
MW374.51 g/mol
LogP3.09
Rot. Bonds7

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

N-(1-ethylpyrazol-4-yl)-5-[(1R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide (PubChem CID 138737691) 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)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-5-[(1R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
PubChem CID138737691
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-(1-ethylpyrazol-4-yl)-5-[(1R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
SMILESCCn1cc(NC(=O)c2csc([C@@H]3CC3NCC3CCOCC3)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-TZHYSIJRSA-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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Related Compounds

3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide;dihydrochloride
CID 118304420
N-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide
CID 123245687
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
CID 118304398
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(1R,2R)-2-[[1-(3-oxobutyl)piperidin-4-yl]methylamino]cyclopropyl]thiophene-3-carboxamide
CID 159364803
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304316
1-butyl-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]pyrazole-4-carboxamide;hydrochloride
CID 174723371
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
CID 90622137
N-(1-tert-butylpyrazol-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide;dihydrochloride
CID 118304511
4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622367
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-5-[(1R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-5-[(1R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide (CID 138737691) is N-(1-ethylpyrazol-4-yl)-5-[(1R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-5-[(1R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-5-[(1R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide is CCn1cc(NC(=O)c2csc([C@@H]3CC3NCC3CCOCC3)c2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-5-[(1R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
The InChIKey is QACZJXDKVHPKRR-TZHYSIJRSA-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)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
N-(1-ethylpyrazol-4-yl)-5-[(1R)-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)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 138737691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).