1-(4-chlorophenyl)sulfonyl-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide

C18H21ClN4O3S — CID 139002164

IUPAC1-(4-chlorophenyl)sulfonyl-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCn1cc(N2CCC(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2)cn1
InChIInChI=1S/C18H21ClN4O3S/c1-22-12-15(10-20-22)23-9-6-14(11-23)21-17(24)18(7-8-18)27(25,26)16-4-2-13(19)3-5-16/h2-5,10,12,14H,6-9,11H2,1H3,(H,21,24)
InChIKeyWPJKIDZYMNVNGN-UHFFFAOYSA-N
MW408.91 g/mol
LogP1.77
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 139002164) has the molecular formula C18H21ClN4O3S and a molecular weight of 408.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
PubChem CID139002164
Molecular FormulaC18H21ClN4O3S
Molecular Weight408.91 g/mol
Exact Mass408.10
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCn1cc(N2CCC(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2)cn1
InChIInChI=1S/C18H21ClN4O3S/c1-22-12-15(10-20-22)23-9-6-14(11-23)21-17(24)18(7-8-18)27(25,26)16-4-2-13(19)3-5-16/h2-5,10,12,14H,6-9,11H2,1H3,(H,21,24)
InChIKeyWPJKIDZYMNVNGN-UHFFFAOYSA-N
XLogP1.77
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 37077615
N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
CID 84596417
1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 139008656
1-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889303
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 86783658
1-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 95771302
(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775077
1-[(1S,2R)-2-methoxycyclohexyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]urea
CID 98773148
(E)-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232118
7-chloro-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 95629631
1-(3-chloro-4-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]methanesulfonamide
CID 126770509
2-benzyl-4-[[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]amino]-4-oxobutanoic acid
CID 155956934

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (CID 139002164) is 1-(4-chlorophenyl)sulfonyl-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is Cn1cc(N2CCC(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2)cn1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is WPJKIDZYMNVNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3S/c1-22-12-15(10-20-22)23-9-6-14(11-23)21-17(24)18(7-8-18)27(25,26)16-4-2-13(19)3-5-16/h2-5,10,12,14H,6-9,11H2,1H3,(H,21,24).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 408.91 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 139002164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).