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

C19H19Cl2N5O2 — CID 71087810

IUPAC1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2ccc(Cl)cn2)n1
InChIInChI=1S/C19H18ClN5O2.ClH/c20-14-3-6-18(22-11-14)25-9-7-16(24-25)19(26)23-15-4-1-13(2-5-15)17-12-21-8-10-27-17;/h1-7,9,11,17,21H,8,10,12H2,(H,23,26);1H/t17-;/m1./s1
InChIKeySZNJMDPTUBTMEO-UNTBIKODSA-N
MW420.30 g/mol
LogP3.26
Rot. Bonds4

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

1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride (PubChem CID 71087810) has the molecular formula C19H19Cl2N5O2 and a molecular weight of 420.30 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
PubChem CID71087810
Molecular FormulaC19H19Cl2N5O2
Molecular Weight420.30 g/mol
Exact Mass419.09
IUPAC Name1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2ccc(Cl)cn2)n1
InChIInChI=1S/C19H18ClN5O2.ClH/c20-14-3-6-18(22-11-14)25-9-7-16(24-25)19(26)23-15-4-1-13(2-5-15)17-12-21-8-10-27-17;/h1-7,9,11,17,21H,8,10,12H2,(H,23,26);1H/t17-;/m1./s1
InChIKeySZNJMDPTUBTMEO-UNTBIKODSA-N
XLogP3.26
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride (CID 71087810) is 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2ccc(Cl)cn2)n1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is SZNJMDPTUBTMEO-UNTBIKODSA-N. The full InChI is InChI=1S/C19H18ClN5O2.ClH/c20-14-3-6-18(22-11-14)25-9-7-16(24-25)19(26)23-15-4-1-13(2-5-15)17-12-21-8-10-27-17;/h1-7,9,11,17,21H,8,10,12H2,(H,23,26);1H/t17-;/m1./s1.
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride?
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 420.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 71087810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).