2-cyano-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C16H24N6O — CID 125446275

IUPAC2-cyano-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@@H]1CCCN(CCNC(=O)N2CCn3nc(C#N)cc3C2)C1
InChIInChI=1S/C16H24N6O/c1-13-3-2-5-20(11-13)6-4-18-16(23)21-7-8-22-15(12-21)9-14(10-17)19-22/h9,13H,2-8,11-12H2,1H3,(H,18,23)/t13-/m1/s1
InChIKeyLLEMZZSRCSINFH-CYBMUJFWSA-N
MW316.41 g/mol
LogP1.01
Rot. Bonds3

About 2-cyano-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

2-cyano-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 125446275) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-cyano-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID125446275
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name2-cyano-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@@H]1CCCN(CCNC(=O)N2CCn3nc(C#N)cc3C2)C1
InChIInChI=1S/C16H24N6O/c1-13-3-2-5-20(11-13)6-4-18-16(23)21-7-8-22-15(12-21)9-14(10-17)19-22/h9,13H,2-8,11-12H2,1H3,(H,18,23)/t13-/m1/s1
InChIKeyLLEMZZSRCSINFH-CYBMUJFWSA-N
XLogP1.01
TPSA77.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[(N,N-diethyl-beta-alanyl)amino]methyl}-N,N-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide
CID 70726192
N'-({5-[(1-ethylpiperidin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)-N,N-dimethylurea
CID 70726297
N,N-dimethyl-N'-{[5-(3-piperidinylmethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}urea dihydrochloride
CID 70736500
N'-({5-[rel-(1R,5S,6r)-3-azabicyclo[3.1.0]hex-6-ylmethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)-N,N-dimethylurea dihydrochloride
CID 70757182
N'-({5-[(1-isopropylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)-N,N-dimethylurea
CID 70767206
N-[(5-isobutyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methylpiperazine-1-carboxamide
CID 70739880
(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 125516773
2-methyl-N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide
CID 124213576
2-methyl-N-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 125523135
2-methyl-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 125523136
2-tert-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 137933489
2-({4-[(1-Methyl-3-piperidinyl)methyl]-1-piperazinyl}methyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56913020

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 2-cyano-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 125446275) is 2-cyano-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-cyano-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-cyano-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is C[C@@H]1CCCN(CCNC(=O)N2CCn3nc(C#N)cc3C2)C1.
What is the InChIKey of 2-cyano-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is LLEMZZSRCSINFH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N6O/c1-13-3-2-5-20(11-13)6-4-18-16(23)21-7-8-22-15(12-21)9-14(10-17)19-22/h9,13H,2-8,11-12H2,1H3,(H,18,23)/t13-/m1/s1.
What are the key properties of 2-cyano-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
2-cyano-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 125446275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).