N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide

C19H24ClN3O2 — CID 124614344

IUPACN-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)N[C@H]2CCOc3c(Cl)cccc32)cnn1CC(C)C
InChIInChI=1S/C19H24ClN3O2/c1-4-17-14(10-21-23(17)11-12(2)3)19(24)22-16-8-9-25-18-13(16)6-5-7-15(18)20/h5-7,10,12,16H,4,8-9,11H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyOEWOYRRCGNRBIS-INIZCTEOSA-N
MW361.87 g/mol
LogP4.01
Rot. Bonds5

About N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide

N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 124614344) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID124614344
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC NameN-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)N[C@H]2CCOc3c(Cl)cccc32)cnn1CC(C)C
InChIInChI=1S/C19H24ClN3O2/c1-4-17-14(10-21-23(17)11-12(2)3)19(24)22-16-8-9-25-18-13(16)6-5-7-15(18)20/h5-7,10,12,16H,4,8-9,11H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyOEWOYRRCGNRBIS-INIZCTEOSA-N
XLogP4.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 124614344) is N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide is CCc1c(C(=O)N[C@H]2CCOc3c(Cl)cccc32)cnn1CC(C)C.
What is the InChIKey of N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is OEWOYRRCGNRBIS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-4-17-14(10-21-23(17)11-12(2)3)19(24)22-16-8-9-25-18-13(16)6-5-7-15(18)20/h5-7,10,12,16H,4,8-9,11H2,1-3H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 361.87 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 124614344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).