tert-butyl 4-[4-(4-carbamoyl-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate

C19H27N7O3 — CID 167435939

IUPACtert-butyl 4-[4-(4-carbamoyl-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate
SMILESCc1nn(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c(C)c1C(N)=O
InChIInChI=1S/C19H27N7O3/c1-12-15(16(20)27)13(2)26(23-12)14-6-7-21-17(22-14)24-8-10-25(11-9-24)18(28)29-19(3,4)5/h6-7H,8-11H2,1-5H3,(H2,20,27)
InChIKeyDLRSUOAAZXNLQK-UHFFFAOYSA-N
MW401.47 g/mol
LogP1.44
Rot. Bonds3

About tert-butyl 4-[4-(4-carbamoyl-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate

tert-butyl 4-[4-(4-carbamoyl-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate (PubChem CID 167435939) has the molecular formula C19H27N7O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is tert-butyl 4-[4-(4-carbamoyl-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(4-carbamoyl-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate
PubChem CID167435939
Molecular FormulaC19H27N7O3
Molecular Weight401.47 g/mol
Exact Mass401.22
IUPAC Nametert-butyl 4-[4-(4-carbamoyl-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate
SMILESCc1nn(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c(C)c1C(N)=O
InChIInChI=1S/C19H27N7O3/c1-12-15(16(20)27)13(2)26(23-12)14-6-7-21-17(22-14)24-8-10-25(11-9-24)18(28)29-19(3,4)5/h6-7H,8-11H2,1-5H3,(H2,20,27)
InChIKeyDLRSUOAAZXNLQK-UHFFFAOYSA-N
XLogP1.44
TPSA119.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[4-(4-carbamoyl-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

Tert-butyl 4-[4-carbamoyl-3-[(6-methylpyrimidin-4-yl)amino]pyrazol-1-yl]-4-(cyanomethyl)piperidine-1-carboxylate
CID 89473658
(1-Tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 45830602
1-[[1-(4,6-Dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 95829334
2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 83275782
(1,3-Dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 126787235
1-[6-[4-[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 166859721
1-(5-Fluoro-2-piperazin-1-ylpyrimidin-4-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 168824079
Tert-butyl 4-[4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]piperazine-1-carboxylate
CID 168824124
(3,5-dimethyl-1H-pyrazol-4-yl)(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 121180518
(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)(1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
CID 122267658
[1-Tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 139001776
5-methyl-1-propyl-N-[1-(2-pyrimidinyl)-3-piperidinyl]-1H-pyrazole-4-carboxamide
CID 45197612

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(4-carbamoyl-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(4-carbamoyl-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate (CID 167435939) is tert-butyl 4-[4-(4-carbamoyl-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(4-carbamoyl-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(4-carbamoyl-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate is Cc1nn(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c(C)c1C(N)=O.
What is the InChIKey of tert-butyl 4-[4-(4-carbamoyl-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate?
The InChIKey is DLRSUOAAZXNLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O3/c1-12-15(16(20)27)13(2)26(23-12)14-6-7-21-17(22-14)24-8-10-25(11-9-24)18(28)29-19(3,4)5/h6-7H,8-11H2,1-5H3,(H2,20,27).
What are the key properties of tert-butyl 4-[4-(4-carbamoyl-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[4-(4-carbamoyl-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate has a molecular weight of 401.47 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(4-carbamoyl-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 167435939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).