N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C16H20N6O — CID 118786887

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2cc(C(C)(C)C)n[nH]2)cnc2ccnn12
InChIInChI=1S/C16H20N6O/c1-10-12(9-17-14-5-6-19-22(10)14)15(23)18-8-11-7-13(21-20-11)16(2,3)4/h5-7,9H,8H2,1-4H3,(H,18,23)(H,20,21)
InChIKeyXPAZHOQZPCMJIV-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.99
Rot. Bonds3

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 118786887) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID118786887
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2cc(C(C)(C)C)n[nH]2)cnc2ccnn12
InChIInChI=1S/C16H20N6O/c1-10-12(9-17-14-5-6-19-22(10)14)15(23)18-8-11-7-13(21-20-11)16(2,3)4/h5-7,9H,8H2,1-4H3,(H,18,23)(H,20,21)
InChIKeyXPAZHOQZPCMJIV-UHFFFAOYSA-N
XLogP1.99
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 118786887) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCc2cc(C(C)(C)C)n[nH]2)cnc2ccnn12.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is XPAZHOQZPCMJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-10-12(9-17-14-5-6-19-22(10)14)15(23)18-8-11-7-13(21-20-11)16(2,3)4/h5-7,9H,8H2,1-4H3,(H,18,23)(H,20,21).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 118786887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).