2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride

C12H17Cl2N5 — CID 141288561

IUPAC2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride
SMILESCl.Cl.c1cnc(-c2cc([C@H]3CCCNC3)[nH]n2)cn1
InChIInChI=1S/C12H15N5.2ClH/c1-2-9(7-13-3-1)10-6-11(17-16-10)12-8-14-4-5-15-12;;/h4-6,8-9,13H,1-3,7H2,(H,16,17);2*1H/t9-;;/m0../s1
InChIKeyMNZZWDZMQKYXNG-WWPIYYJJSA-N
MW302.21 g/mol
LogP2.18
Rot. Bonds2

About 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride

2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride (PubChem CID 141288561) has the molecular formula C12H17Cl2N5 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride.

Molecular Properties

Compound Name2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride
PubChem CID141288561
Molecular FormulaC12H17Cl2N5
Molecular Weight302.21 g/mol
Exact Mass301.09
IUPAC Name2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride
SMILESCl.Cl.c1cnc(-c2cc([C@H]3CCCNC3)[nH]n2)cn1
InChIInChI=1S/C12H15N5.2ClH/c1-2-9(7-13-3-1)10-6-11(17-16-10)12-8-14-4-5-15-12;;/h4-6,8-9,13H,1-3,7H2,(H,16,17);2*1H/t9-;;/m0../s1
InChIKeyMNZZWDZMQKYXNG-WWPIYYJJSA-N
XLogP2.18
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine
CID 141269013
2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride
CID 141269036
5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 53326009
(3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 141288508
2-pyrrolidin-3-ylpyrazine;hydrochloride
CID 71744154
(3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine
CID 141288555
5-[(3S)-piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 124969984
5-[(3R)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 92615149
2-piperidin-3-ylsulfinylpyrazine;hydrochloride
CID 71645980
3-(2-propan-2-yl-1H-imidazol-5-yl)piperidine
CID 82656850
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614
2-[(3R)-piperidin-3-yl]oxypyrazine
CID 71637336

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride?
The IUPAC name of 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride (CID 141288561) is 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride.
What is the SMILES notation for 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride?
The canonical SMILES for 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride is Cl.Cl.c1cnc(-c2cc([C@H]3CCCNC3)[nH]n2)cn1.
What is the InChIKey of 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride?
The InChIKey is MNZZWDZMQKYXNG-WWPIYYJJSA-N. The full InChI is InChI=1S/C12H15N5.2ClH/c1-2-9(7-13-3-1)10-6-11(17-16-10)12-8-14-4-5-15-12;;/h4-6,8-9,13H,1-3,7H2,(H,16,17);2*1H/t9-;;/m0../s1.
What are the key properties of 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride?
2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride has a molecular weight of 302.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride is sourced from PubChem (CID 141288561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).