5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide

C16H16ClN5O3 — CID 51951606

IUPAC5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1
InChIInChI=1S/C16H16ClN5O3/c1-8-11(12(17)22(3)21-8)13(23)18-10-6-4-5-9(7-10)16(2)14(24)19-15(25)20-16/h4-7H,1-3H3,(H,18,23)(H2,19,20,24,25)/t16-/m0/s1
InChIKeyKQEKLGOTLNGSQW-INIZCTEOSA-N
MW361.79 g/mol
LogP1.69
Rot. Bonds3

About 5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide

5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 51951606) has the molecular formula C16H16ClN5O3 and a molecular weight of 361.79 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide
PubChem CID51951606
Molecular FormulaC16H16ClN5O3
Molecular Weight361.79 g/mol
Exact Mass361.09
IUPAC Name5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1
InChIInChI=1S/C16H16ClN5O3/c1-8-11(12(17)22(3)21-8)13(23)18-10-6-4-5-9(7-10)16(2)14(24)19-15(25)20-16/h4-7H,1-3H3,(H,18,23)(H2,19,20,24,25)/t16-/m0/s1
InChIKeyKQEKLGOTLNGSQW-INIZCTEOSA-N
XLogP1.69
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide (CID 51951606) is 5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide is Cc1nn(C)c(Cl)c1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is KQEKLGOTLNGSQW-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16ClN5O3/c1-8-11(12(17)22(3)21-8)13(23)18-10-6-4-5-9(7-10)16(2)14(24)19-15(25)20-16/h4-7H,1-3H3,(H,18,23)(H2,19,20,24,25)/t16-/m0/s1.
What are the key properties of 5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide?
5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 361.79 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 51951606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).