N-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride

C15H20ClFN4O — CID 120506558

IUPACN-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)N[C@@H](C)CN)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C15H19FN4O.ClH/c1-3-14-13(15(21)19-10(2)8-17)9-18-20(14)12-6-4-11(16)5-7-12;/h4-7,9-10H,3,8,17H2,1-2H3,(H,19,21);1H/t10-;/m0./s1
InChIKeyKGCLFXSVDYNCIW-PPHPATTJSA-N
MW326.80 g/mol
LogP2.07
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 120506558) has the molecular formula C15H20ClFN4O and a molecular weight of 326.80 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID120506558
Molecular FormulaC15H20ClFN4O
Molecular Weight326.80 g/mol
Exact Mass326.13
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)N[C@@H](C)CN)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C15H19FN4O.ClH/c1-3-14-13(15(21)19-10(2)8-17)9-18-20(14)12-6-4-11(16)5-7-12;/h4-7,9-10H,3,8,17H2,1-2H3,(H,19,21);1H/t10-;/m0./s1
InChIKeyKGCLFXSVDYNCIW-PPHPATTJSA-N
XLogP2.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylurea
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5-ethyl-1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride (CID 120506558) is N-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride is CCc1c(C(=O)N[C@@H](C)CN)cnn1-c1ccc(F)cc1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is KGCLFXSVDYNCIW-PPHPATTJSA-N. The full InChI is InChI=1S/C15H19FN4O.ClH/c1-3-14-13(15(21)19-10(2)8-17)9-18-20(14)12-6-4-11(16)5-7-12;/h4-7,9-10H,3,8,17H2,1-2H3,(H,19,21);1H/t10-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 326.80 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120506558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).