1-(2-tert-butyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide

C20H29N5O2 — CID 4001725

IUPAC1-(2-tert-butyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide
SMILESCCCc1c(C(=O)N2CCC(C(N)=O)CC2)cnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C20H29N5O2/c1-5-6-15-14(19(27)24-9-7-13(8-10-24)18(21)26)12-22-17-11-16(20(2,3)4)23-25(15)17/h11-13H,5-10H2,1-4H3,(H2,21,26)
InChIKeySVSGYVMKTSMCIE-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.32
Rot. Bonds4

About 1-(2-tert-butyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide

1-(2-tert-butyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide (PubChem CID 4001725) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-(2-tert-butyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-tert-butyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide
PubChem CID4001725
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-(2-tert-butyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide
SMILESCCCc1c(C(=O)N2CCC(C(N)=O)CC2)cnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C20H29N5O2/c1-5-6-15-14(19(27)24-9-7-13(8-10-24)18(21)26)12-22-17-11-16(20(2,3)4)23-25(15)17/h11-13H,5-10H2,1-4H3,(H2,21,26)
InChIKeySVSGYVMKTSMCIE-UHFFFAOYSA-N
XLogP2.32
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-tert-butyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide (CID 4001725) is 1-(2-tert-butyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-tert-butyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-tert-butyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide is CCCc1c(C(=O)N2CCC(C(N)=O)CC2)cnc2cc(C(C)(C)C)nn12.
What is the InChIKey of 1-(2-tert-butyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide?
The InChIKey is SVSGYVMKTSMCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-5-6-15-14(19(27)24-9-7-13(8-10-24)18(21)26)12-22-17-11-16(20(2,3)4)23-25(15)17/h11-13H,5-10H2,1-4H3,(H2,21,26).
What are the key properties of 1-(2-tert-butyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide?
1-(2-tert-butyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 4001725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).