N'-hydroxy-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboximidamide

C14H13N5O — CID 177372557

IUPACN'-hydroxy-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboximidamide
SMILESCc1nn2c(-c3ccccc3)ccnc2c1/C(N)=N/O
InChIInChI=1S/C14H13N5O/c1-9-12(13(15)18-20)14-16-8-7-11(19(14)17-9)10-5-3-2-4-6-10/h2-8,20H,1H3,(H2,15,18)
InChIKeyBUWKEFCPLBPYPS-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.80
Rot. Bonds2

About N'-hydroxy-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboximidamide

N'-hydroxy-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboximidamide (PubChem CID 177372557) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboximidamide
PubChem CID177372557
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN'-hydroxy-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboximidamide
SMILESCc1nn2c(-c3ccccc3)ccnc2c1/C(N)=N/O
InChIInChI=1S/C14H13N5O/c1-9-12(13(15)18-20)14-16-8-7-11(19(14)17-9)10-5-3-2-4-6-10/h2-8,20H,1H3,(H2,15,18)
InChIKeyBUWKEFCPLBPYPS-UHFFFAOYSA-N
XLogP1.80
TPSA88.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboximidamide (CID 177372557) is N'-hydroxy-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboximidamide is Cc1nn2c(-c3ccccc3)ccnc2c1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The InChIKey is BUWKEFCPLBPYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-12(13(15)18-20)14-16-8-7-11(19(14)17-9)10-5-3-2-4-6-10/h2-8,20H,1H3,(H2,15,18).
What are the key properties of N'-hydroxy-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboximidamide?
N'-hydroxy-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboximidamide has a molecular weight of 267.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboximidamide is sourced from PubChem (CID 177372557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).