4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide

C16H20ClN5O2 — CID 134518390

IUPAC4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(-c2ccc([C@@H]3CNCCO3)nc2)c(C(N)=O)c1Cl
InChIInChI=1S/C16H20ClN5O2/c1-2-3-12-14(17)15(16(18)23)22(21-12)10-4-5-11(20-8-10)13-9-19-6-7-24-13/h4-5,8,13,19H,2-3,6-7,9H2,1H3,(H2,18,23)/t13-/m0/s1
InChIKeyPFUDZWLDDPMKCG-ZDUSSCGKSA-N
MW349.82 g/mol
LogP1.63
Rot. Bonds5

About 4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide

4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide (PubChem CID 134518390) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide
PubChem CID134518390
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(-c2ccc([C@@H]3CNCCO3)nc2)c(C(N)=O)c1Cl
InChIInChI=1S/C16H20ClN5O2/c1-2-3-12-14(17)15(16(18)23)22(21-12)10-4-5-11(20-8-10)13-9-19-6-7-24-13/h4-5,8,13,19H,2-3,6-7,9H2,1H3,(H2,18,23)/t13-/m0/s1
InChIKeyPFUDZWLDDPMKCG-ZDUSSCGKSA-N
XLogP1.63
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone
CID 159544218
5-amino-4-chloro-3-imino-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]oct-4-en-2-one
CID 159725830
5-amino-4-chloro-3-imino-1-(6-morpholin-2-yl-3-pyridinyl)oct-4-en-2-one
CID 159725831
5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one
CID 152948224
4-chloro-5-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 118484454
3-[6-[(2R)-morpholin-2-yl]-2-pyridinyl]benzamide
CID 124977411
1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 175893602
(E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide
CID 145452915
5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide
CID 118484989
2-(6-tert-butylpyridazin-3-yl)morpholine
CID 140941619
4-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide
CID 144953548
4-methyl-N-(6-morpholin-2-yl-3-pyridinyl)benzamide
CID 123703173

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide (CID 134518390) is 4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide is CCCc1nn(-c2ccc([C@@H]3CNCCO3)nc2)c(C(N)=O)c1Cl.
What is the InChIKey of 4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide?
The InChIKey is PFUDZWLDDPMKCG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-2-3-12-14(17)15(16(18)23)22(21-12)10-4-5-11(20-8-10)13-9-19-6-7-24-13/h4-5,8,13,19H,2-3,6-7,9H2,1H3,(H2,18,23)/t13-/m0/s1.
What are the key properties of 4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide?
4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 134518390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).