N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide

C19H18ClN5O3 — CID 166285191

IUPACN-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cncc(-n2cccn2)n1
InChIInChI=1S/C19H18ClN5O3/c20-13-4-5-17(28-12-14-3-1-8-27-14)15(9-13)24-19(26)16-10-21-11-18(23-16)25-7-2-6-22-25/h2,4-7,9-11,14H,1,3,8,12H2,(H,24,26)
InChIKeyAQUSGRRIVRXTFB-UHFFFAOYSA-N
MW399.84 g/mol
LogP3.13
Rot. Bonds6

About N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide

N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide (PubChem CID 166285191) has the molecular formula C19H18ClN5O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide
PubChem CID166285191
Molecular FormulaC19H18ClN5O3
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC NameN-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cncc(-n2cccn2)n1
InChIInChI=1S/C19H18ClN5O3/c20-13-4-5-17(28-12-14-3-1-8-27-14)15(9-13)24-19(26)16-10-21-11-18(23-16)25-7-2-6-22-25/h2,4-7,9-11,14H,1,3,8,12H2,(H,24,26)
InChIKeyAQUSGRRIVRXTFB-UHFFFAOYSA-N
XLogP3.13
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide
CID 94645848
6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide
CID 102561239
3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 99823794
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 60576266
N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide
CID 131895389
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
N-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide
CID 40771307
3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120609593
5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 126794671
2-[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976807
1-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-hydroxyethyl)urea
CID 95265922
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide?
The IUPAC name of N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide (CID 166285191) is N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide is O=C(Nc1cc(Cl)ccc1OCC1CCCO1)c1cncc(-n2cccn2)n1.
What is the InChIKey of N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide?
The InChIKey is AQUSGRRIVRXTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3/c20-13-4-5-17(28-12-14-3-1-8-27-14)15(9-13)24-19(26)16-10-21-11-18(23-16)25-7-2-6-22-25/h2,4-7,9-11,14H,1,3,8,12H2,(H,24,26).
What are the key properties of N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide?
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide has a molecular weight of 399.84 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 166285191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).