2-[4-(1H-pyrazol-5-yl)phenyl]-3-pyrrolidin-1-ylpyrazine

C17H17N5 — CID 77095916

IUPAC2-[4-(1H-pyrazol-5-yl)phenyl]-3-pyrrolidin-1-ylpyrazine
SMILESc1cc(-c2ccc(-c3nccnc3N3CCCC3)cc2)[nH]n1
InChIInChI=1S/C17H17N5/c1-2-12-22(11-1)17-16(18-9-10-19-17)14-5-3-13(4-6-14)15-7-8-20-21-15/h3-10H,1-2,11-12H2,(H,20,21)
InChIKeyKRRJBTGAAAGIBA-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.13
Rot. Bonds3

About 2-[4-(1H-pyrazol-5-yl)phenyl]-3-pyrrolidin-1-ylpyrazine

2-[4-(1H-pyrazol-5-yl)phenyl]-3-pyrrolidin-1-ylpyrazine (PubChem CID 77095916) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[4-(1H-pyrazol-5-yl)phenyl]-3-pyrrolidin-1-ylpyrazine.

Molecular Properties

Compound Name2-[4-(1H-pyrazol-5-yl)phenyl]-3-pyrrolidin-1-ylpyrazine
PubChem CID77095916
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name2-[4-(1H-pyrazol-5-yl)phenyl]-3-pyrrolidin-1-ylpyrazine
SMILESc1cc(-c2ccc(-c3nccnc3N3CCCC3)cc2)[nH]n1
InChIInChI=1S/C17H17N5/c1-2-12-22(11-1)17-16(18-9-10-19-17)14-5-3-13(4-6-14)15-7-8-20-21-15/h3-10H,1-2,11-12H2,(H,20,21)
InChIKeyKRRJBTGAAAGIBA-UHFFFAOYSA-N
XLogP3.13
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole
CID 141365895
5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole
CID 138542816
2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride
CID 68597368
5-(4-bromophenyl)-1H-pyrazole
CID 2735614
5-(4-chlorophenyl)-1H-pyrazole
CID 714291
1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one
CID 175851778
1-[4-(1H-pyrazol-5-yl)-2-pyridinyl]piperazine
CID 105486911
(4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50847507
5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole
CID 70413640
3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole
CID 137312708
2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine
CID 126424979
N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 54881297

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazol-5-yl)phenyl]-3-pyrrolidin-1-ylpyrazine?
The IUPAC name of 2-[4-(1H-pyrazol-5-yl)phenyl]-3-pyrrolidin-1-ylpyrazine (CID 77095916) is 2-[4-(1H-pyrazol-5-yl)phenyl]-3-pyrrolidin-1-ylpyrazine.
What is the SMILES notation for 2-[4-(1H-pyrazol-5-yl)phenyl]-3-pyrrolidin-1-ylpyrazine?
The canonical SMILES for 2-[4-(1H-pyrazol-5-yl)phenyl]-3-pyrrolidin-1-ylpyrazine is c1cc(-c2ccc(-c3nccnc3N3CCCC3)cc2)[nH]n1.
What is the InChIKey of 2-[4-(1H-pyrazol-5-yl)phenyl]-3-pyrrolidin-1-ylpyrazine?
The InChIKey is KRRJBTGAAAGIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-2-12-22(11-1)17-16(18-9-10-19-17)14-5-3-13(4-6-14)15-7-8-20-21-15/h3-10H,1-2,11-12H2,(H,20,21).
What are the key properties of 2-[4-(1H-pyrazol-5-yl)phenyl]-3-pyrrolidin-1-ylpyrazine?
2-[4-(1H-pyrazol-5-yl)phenyl]-3-pyrrolidin-1-ylpyrazine has a molecular weight of 291.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazol-5-yl)phenyl]-3-pyrrolidin-1-ylpyrazine is sourced from PubChem (CID 77095916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).