N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide

C19H21N7O — CID 163301826

IUPACN-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide
SMILESC#CC(=O)NCC1CCCN(c2nc(-c3cnn(C)c3)cn3nccc23)C1
InChIInChI=1S/C19H21N7O/c1-3-18(27)20-9-14-5-4-8-25(11-14)19-17-6-7-21-26(17)13-16(23-19)15-10-22-24(2)12-15/h1,6-7,10,12-14H,4-5,8-9,11H2,2H3,(H,20,27)
InChIKeyLVEPXCAHFOMZME-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.10
Rot. Bonds4

About N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide

N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide (PubChem CID 163301826) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide
PubChem CID163301826
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide
SMILESC#CC(=O)NCC1CCCN(c2nc(-c3cnn(C)c3)cn3nccc23)C1
InChIInChI=1S/C19H21N7O/c1-3-18(27)20-9-14-5-4-8-25(11-14)19-17-6-7-21-26(17)13-16(23-19)15-10-22-24(2)12-15/h1,6-7,10,12-14H,4-5,8-9,11H2,2H3,(H,20,27)
InChIKeyLVEPXCAHFOMZME-UHFFFAOYSA-N
XLogP1.10
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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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
N-[[(2S)-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-2-yl]methyl]propanamide
CID 169102265
ethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine
CID 168885158
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
[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
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
1-[(4R)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepan-1-yl]prop-2-yn-1-one
CID 163301764
1-[(4S)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepan-1-yl]prop-2-yn-1-one
CID 163301962
[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
1-[(4S)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepan-1-yl]ethanone
CID 163302299
1-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepan-1-yl]prop-2-en-1-one
CID 167070902
tert-butyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepane-1-carboxylate
CID 163302037

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide?
The IUPAC name of N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide (CID 163301826) is N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide.
What is the SMILES notation for N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide?
The canonical SMILES for N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide is C#CC(=O)NCC1CCCN(c2nc(-c3cnn(C)c3)cn3nccc23)C1.
What is the InChIKey of N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide?
The InChIKey is LVEPXCAHFOMZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-3-18(27)20-9-14-5-4-8-25(11-14)19-17-6-7-21-26(17)13-16(23-19)15-10-22-24(2)12-15/h1,6-7,10,12-14H,4-5,8-9,11H2,2H3,(H,20,27).
What are the key properties of N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide?
N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide has a molecular weight of 363.43 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methyl]prop-2-ynamide is sourced from PubChem (CID 163301826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).