5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide

C22H24N4O2S — CID 87046423

IUPAC5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C22H24N4O2S/c1-26(22(28)19-11-12-20(29-19)23-21(27)16-9-10-16)13-5-8-17-14-18(25-24-17)15-6-3-2-4-7-15/h2-4,6-7,11-12,14,16H,5,8-10,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyRFWUQQOPBURDAD-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.19
Rot. Bonds8

About 5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide (PubChem CID 87046423) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
PubChem CID87046423
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C22H24N4O2S/c1-26(22(28)19-11-12-20(29-19)23-21(27)16-9-10-16)13-5-8-17-14-18(25-24-17)15-6-3-2-4-7-15/h2-4,6-7,11-12,14,16H,5,8-10,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyRFWUQQOPBURDAD-UHFFFAOYSA-N
XLogP4.19
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide
CID 55866237
2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid
CID 43356222
N,5-dimethyl-4-nitro-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
CID 55970280
3-bromo-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
CID 55969519
2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
CID 119296616
2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 120788646
3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737084
3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
CID 55814945
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide
CID 87042708
2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride
CID 120589459
(2S)-2-amino-N,3,3-trimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanamide;hydrochloride
CID 119736665
2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide
CID 55970028

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide (CID 87046423) is 5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide is CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide?
The InChIKey is RFWUQQOPBURDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-26(22(28)19-11-12-20(29-19)23-21(27)16-9-10-16)13-5-8-17-14-18(25-24-17)15-6-3-2-4-7-15/h2-4,6-7,11-12,14,16H,5,8-10,13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 87046423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).