N-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C22H24N6O — CID 50982573

IUPACN-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ccccc1-c1ncc(CN2CCn3nc(C(=O)NC4CC4)cc3C2)cn1
InChIInChI=1S/C22H24N6O/c1-15-4-2-3-5-19(15)21-23-11-16(12-24-21)13-27-8-9-28-18(14-27)10-20(26-28)22(29)25-17-6-7-17/h2-5,10-12,17H,6-9,13-14H2,1H3,(H,25,29)
InChIKeyAPVICTCHFMUCLP-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.56
Rot. Bonds5

About N-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 50982573) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID50982573
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ccccc1-c1ncc(CN2CCn3nc(C(=O)NC4CC4)cc3C2)cn1
InChIInChI=1S/C22H24N6O/c1-15-4-2-3-5-19(15)21-23-11-16(12-24-21)13-27-8-9-28-18(14-27)10-20(26-28)22(29)25-17-6-7-17/h2-5,10-12,17H,6-9,13-14H2,1H3,(H,25,29)
InChIKeyAPVICTCHFMUCLP-UHFFFAOYSA-N
XLogP2.56
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 56712060
5-benzyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50983965
methyl 5-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50981247
N-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014510
5-benzyl-N-[1-(hydroxymethyl)cyclopentyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50985031
4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one
CID 56720323
N-cyclopropyl-3-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
CID 72927922
N-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95137597
methyl (2S,4R)-1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 50972197
N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide
CID 77091960
5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 137452745
5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 50962804

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 50982573) is N-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1ccccc1-c1ncc(CN2CCn3nc(C(=O)NC4CC4)cc3C2)cn1.
What is the InChIKey of N-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is APVICTCHFMUCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-15-4-2-3-5-19(15)21-23-11-16(12-24-21)13-27-8-9-28-18(14-27)10-20(26-28)22(29)25-17-6-7-17/h2-5,10-12,17H,6-9,13-14H2,1H3,(H,25,29).
What are the key properties of N-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50982573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).