N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide

C21H24N4O2 — CID 52975465

IUPACN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide
SMILESO=C(Nc1ccc(CNC(=O)C2CNNC2c2ccccc2)cc1)C1CC1
InChIInChI=1S/C21H24N4O2/c26-20(16-8-9-16)24-17-10-6-14(7-11-17)12-22-21(27)18-13-23-25-19(18)15-4-2-1-3-5-15/h1-7,10-11,16,18-19,23,25H,8-9,12-13H2,(H,22,27)(H,24,26)
InChIKeyKOISMXIKDIJBCA-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.12
Rot. Bonds6

About N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide

N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide (PubChem CID 52975465) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide
PubChem CID52975465
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide
SMILESO=C(Nc1ccc(CNC(=O)C2CNNC2c2ccccc2)cc1)C1CC1
InChIInChI=1S/C21H24N4O2/c26-20(16-8-9-16)24-17-10-6-14(7-11-17)12-22-21(27)18-13-23-25-19(18)15-4-2-1-3-5-15/h1-7,10-11,16,18-19,23,25H,8-9,12-13H2,(H,22,27)(H,24,26)
InChIKeyKOISMXIKDIJBCA-UHFFFAOYSA-N
XLogP2.12
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide
CID 52975448
N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide
CID 74648336
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide
CID 73277722
N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 52989302
N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide
CID 52975623
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide
CID 74621923
N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide
CID 134059626
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 17471128
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide
CID 134027884
3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134080169

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide?
The IUPAC name of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide (CID 52975465) is N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide?
The canonical SMILES for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide is O=C(Nc1ccc(CNC(=O)C2CNNC2c2ccccc2)cc1)C1CC1.
What is the InChIKey of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide?
The InChIKey is KOISMXIKDIJBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20(16-8-9-16)24-17-10-6-14(7-11-17)12-22-21(27)18-13-23-25-19(18)15-4-2-1-3-5-15/h1-7,10-11,16,18-19,23,25H,8-9,12-13H2,(H,22,27)(H,24,26).
What are the key properties of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide?
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.12, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide is sourced from PubChem (CID 52975465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).