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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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).