tert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

C19H29N5O2 — CID 91331966

IUPACtert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
SMILESCc1cnn2c(N(C)C)cc(C3CCN(C(=O)OC(C)(C)C)CC3)nc12
InChIInChI=1S/C19H29N5O2/c1-13-12-20-24-16(22(5)6)11-15(21-17(13)24)14-7-9-23(10-8-14)18(25)26-19(2,3)4/h11-12,14H,7-10H2,1-6H3
InChIKeyRZMYKRJYYGANLZ-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.22
Rot. Bonds2

About tert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

tert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate (PubChem CID 91331966) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is tert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
PubChem CID91331966
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Nametert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
SMILESCc1cnn2c(N(C)C)cc(C3CCN(C(=O)OC(C)(C)C)CC3)nc12
InChIInChI=1S/C19H29N5O2/c1-13-12-20-24-16(22(5)6)11-15(21-17(13)24)14-7-9-23(10-8-14)18(25)26-19(2,3)4/h11-12,14H,7-10H2,1-6H3
InChIKeyRZMYKRJYYGANLZ-UHFFFAOYSA-N
XLogP3.22
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane
CID 143439987
5-cyclopropyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 97182124
tert-butyl 4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 172906292
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl N-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;N-cyclopropylformamide;ethane
CID 142523584
tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 67494490
(1-but-2-ynoylpyrrolidin-3-yl) 4-[(5-cyclopropyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 171798674
tert-butyl 4-(1H-pyrazolo[4,3-c]pyridin-6-yl)piperidine-1-carboxylate
CID 168797532
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
3-bromo-7-[ethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-6-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 175269709
tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate
CID 118960889

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate (CID 91331966) is tert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate is Cc1cnn2c(N(C)C)cc(C3CCN(C(=O)OC(C)(C)C)CC3)nc12.
What is the InChIKey of tert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?
The InChIKey is RZMYKRJYYGANLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-13-12-20-24-16(22(5)6)11-15(21-17(13)24)14-7-9-23(10-8-14)18(25)26-19(2,3)4/h11-12,14H,7-10H2,1-6H3.
What are the key properties of tert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?
tert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[7-(dimethylamino)-3-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 91331966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).