N-(2-methoxycyclobutyl)-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H23N5O2 — CID 170960717

IUPACN-(2-methoxycyclobutyl)-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(C(C)C)nc2c(C(=O)NC3CCC3OC)cnn12
InChIInChI=1S/C16H23N5O2/c1-9(2)12-7-14(17-3)21-15(19-12)10(8-18-21)16(22)20-11-5-6-13(11)23-4/h7-9,11,13,17H,5-6H2,1-4H3,(H,20,22)
InChIKeyWSQQQJAAPBWCNB-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.80
Rot. Bonds5

About N-(2-methoxycyclobutyl)-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-methoxycyclobutyl)-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 170960717) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2-methoxycyclobutyl)-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxycyclobutyl)-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID170960717
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-(2-methoxycyclobutyl)-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(C(C)C)nc2c(C(=O)NC3CCC3OC)cnn12
InChIInChI=1S/C16H23N5O2/c1-9(2)12-7-14(17-3)21-15(19-12)10(8-18-21)16(22)20-11-5-6-13(11)23-4/h7-9,11,13,17H,5-6H2,1-4H3,(H,20,22)
InChIKeyWSQQQJAAPBWCNB-UHFFFAOYSA-N
XLogP1.80
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclobutyl)-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-methoxycyclobutyl)-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 170960717) is N-(2-methoxycyclobutyl)-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxycyclobutyl)-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-methoxycyclobutyl)-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(C(C)C)nc2c(C(=O)NC3CCC3OC)cnn12.
What is the InChIKey of N-(2-methoxycyclobutyl)-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WSQQQJAAPBWCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-9(2)12-7-14(17-3)21-15(19-12)10(8-18-21)16(22)20-11-5-6-13(11)23-4/h7-9,11,13,17H,5-6H2,1-4H3,(H,20,22).
What are the key properties of N-(2-methoxycyclobutyl)-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-methoxycyclobutyl)-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclobutyl)-7-(methylamino)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 170960717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).