N-cyclopropyl-3-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazolidine-4-carboxamide

C20H25N3O2S — CID 134067430

IUPACN-cyclopropyl-3-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazolidine-4-carboxamide
SMILESCOc1cccc(C2NNCC2C(=O)N(Cc2sccc2C)C2CC2)c1
InChIInChI=1S/C20H25N3O2S/c1-13-8-9-26-18(13)12-23(15-6-7-15)20(24)17-11-21-22-19(17)14-4-3-5-16(10-14)25-2/h3-5,8-10,15,17,19,21-22H,6-7,11-12H2,1-2H3
InChIKeyZFWPPYDQLHMMSF-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.02
Rot. Bonds6

About N-cyclopropyl-3-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazolidine-4-carboxamide

N-cyclopropyl-3-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazolidine-4-carboxamide (PubChem CID 134067430) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-cyclopropyl-3-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazolidine-4-carboxamide
PubChem CID134067430
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-cyclopropyl-3-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazolidine-4-carboxamide
SMILESCOc1cccc(C2NNCC2C(=O)N(Cc2sccc2C)C2CC2)c1
InChIInChI=1S/C20H25N3O2S/c1-13-8-9-26-18(13)12-23(15-6-7-15)20(24)17-11-21-22-19(17)14-4-3-5-16(10-14)25-2/h3-5,8-10,15,17,19,21-22H,6-7,11-12H2,1-2H3
InChIKeyZFWPPYDQLHMMSF-UHFFFAOYSA-N
XLogP3.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide
CID 134059626
2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 1031230
3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 27517905
(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol
CID 133115423
2-(3-methoxyphenyl)azetidine-3-carboxylic acid
CID 105460068
1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 119060069
2-[cyclopropyl-[(3,5-dimethoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3620471
2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide
CID 118492311
5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide
CID 72934036
N-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxyphenyl)pyrazolidine-4-carboxamide
CID 78087940
(3-aminothiophen-2-yl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 61111484
1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea
CID 119065959

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazolidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazolidine-4-carboxamide (CID 134067430) is N-cyclopropyl-3-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazolidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazolidine-4-carboxamide is COc1cccc(C2NNCC2C(=O)N(Cc2sccc2C)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazolidine-4-carboxamide?
The InChIKey is ZFWPPYDQLHMMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-13-8-9-26-18(13)12-23(15-6-7-15)20(24)17-11-21-22-19(17)14-4-3-5-16(10-14)25-2/h3-5,8-10,15,17,19,21-22H,6-7,11-12H2,1-2H3.
What are the key properties of N-cyclopropyl-3-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazolidine-4-carboxamide?
N-cyclopropyl-3-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazolidine-4-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 134067430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).