3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride

C20H20Cl2N4O2 — CID 71087692

IUPAC3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C20H19ClN4O2.ClH/c21-15-5-1-13(2-6-15)17-11-18(25-24-17)20(26)23-16-7-3-14(4-8-16)19-12-22-9-10-27-19;/h1-8,11,19,22H,9-10,12H2,(H,23,26)(H,24,25);1H/t19-;/m1./s1
InChIKeyOFDNNDMKVQEXLC-FSRHSHDFSA-N
MW419.31 g/mol
LogP4.07
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride

3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 71087692) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID71087692
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC Name3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C20H19ClN4O2.ClH/c21-15-5-1-13(2-6-15)17-11-18(25-24-17)20(26)23-16-7-3-14(4-8-16)19-12-22-9-10-27-19;/h1-8,11,19,22H,9-10,12H2,(H,23,26)(H,24,25);1H/t19-;/m1./s1
InChIKeyOFDNNDMKVQEXLC-FSRHSHDFSA-N
XLogP4.07
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride (CID 71087692) is 3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride is Cl.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is OFDNNDMKVQEXLC-FSRHSHDFSA-N. The full InChI is InChI=1S/C20H19ClN4O2.ClH/c21-15-5-1-13(2-6-15)17-11-18(25-24-17)20(26)23-16-7-3-14(4-8-16)19-12-22-9-10-27-19;/h1-8,11,19,22H,9-10,12H2,(H,23,26)(H,24,25);1H/t19-;/m1./s1.
What are the key properties of 3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride?
3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 419.31 g/mol, XLogP of 4.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 71087692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).