7-[(2-hydroxycyclobutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C12H15N5O2 — CID 176884788

IUPAC7-[(2-hydroxycyclobutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(c1ccnc2c(C(N)=O)cnn12)C1CCC1O
InChIInChI=1S/C12H15N5O2/c1-16(8-2-3-9(8)18)10-4-5-14-12-7(11(13)19)6-15-17(10)12/h4-6,8-9,18H,2-3H2,1H3,(H2,13,19)
InChIKeyLDMFTDDOSXKDDG-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.21
Rot. Bonds3

About 7-[(2-hydroxycyclobutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[(2-hydroxycyclobutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 176884788) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 7-[(2-hydroxycyclobutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[(2-hydroxycyclobutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID176884788
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name7-[(2-hydroxycyclobutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(c1ccnc2c(C(N)=O)cnn12)C1CCC1O
InChIInChI=1S/C12H15N5O2/c1-16(8-2-3-9(8)18)10-4-5-14-12-7(11(13)19)6-15-17(10)12/h4-6,8-9,18H,2-3H2,1H3,(H2,13,19)
InChIKeyLDMFTDDOSXKDDG-UHFFFAOYSA-N
XLogP-0.21
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-hydroxycyclobutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[(2-hydroxycyclobutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 176884788) is 7-[(2-hydroxycyclobutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[(2-hydroxycyclobutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[(2-hydroxycyclobutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(c1ccnc2c(C(N)=O)cnn12)C1CCC1O.
What is the InChIKey of 7-[(2-hydroxycyclobutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LDMFTDDOSXKDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-16(8-2-3-9(8)18)10-4-5-14-12-7(11(13)19)6-15-17(10)12/h4-6,8-9,18H,2-3H2,1H3,(H2,13,19).
What are the key properties of 7-[(2-hydroxycyclobutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[(2-hydroxycyclobutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 261.29 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-hydroxycyclobutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 176884788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).