ethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine

C18H27N7 — CID 168885158

IUPACethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine
SMILESCC.Cn1cc(-c2cn3nccc3c(N3CCC(CN)CC3)n2)cn1
InChIInChI=1S/C16H21N7.C2H6/c1-21-10-13(9-19-21)14-11-23-15(2-5-18-23)16(20-14)22-6-3-12(8-17)4-7-22;1-2/h2,5,9-12H,3-4,6-8,17H2,1H3;1-2H3
InChIKeyLJBWHAHMORXHCL-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.33
Rot. Bonds3

About ethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine

ethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine (PubChem CID 168885158) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is ethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Nameethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine
PubChem CID168885158
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Nameethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine
SMILESCC.Cn1cc(-c2cn3nccc3c(N3CCC(CN)CC3)n2)cn1
InChIInChI=1S/C16H21N7.C2H6/c1-21-10-13(9-19-21)14-11-23-15(2-5-18-23)16(20-14)22-6-3-12(8-17)4-7-22;1-2/h2,5,9-12H,3-4,6-8,17H2,1H3;1-2H3
InChIKeyLJBWHAHMORXHCL-UHFFFAOYSA-N
XLogP2.33
TPSA77.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine
CID 163302026
[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methanamine;hydrochloride
CID 168885323
5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride
CID 168885281
N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide
CID 163301826
[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methyl N-tert-butylcarbamate
CID 168885254
tert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate
CID 168885330
N-[[(2S)-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-2-yl]methyl]propanamide
CID 169102265
(3R)-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-amine
CID 175735098
(3S)-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-amine
CID 175735086
cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride
CID 172552286
[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine
CID 103278998
[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride
CID 168885126

Frequently Asked Questions

What is the IUPAC name of ethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine?
The IUPAC name of ethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine (CID 168885158) is ethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for ethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine?
The canonical SMILES for ethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine is CC.Cn1cc(-c2cn3nccc3c(N3CCC(CN)CC3)n2)cn1.
What is the InChIKey of ethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine?
The InChIKey is LJBWHAHMORXHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7.C2H6/c1-21-10-13(9-19-21)14-11-23-15(2-5-18-23)16(20-14)22-6-3-12(8-17)4-7-22;1-2/h2,5,9-12H,3-4,6-8,17H2,1H3;1-2H3.
What are the key properties of ethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine?
ethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine has a molecular weight of 341.46 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 168885158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).