2-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylamino)methyl]benzamide

C14H17N5O — CID 175877743

IUPAC2-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylamino)methyl]benzamide
SMILESNC(=O)c1ccccc1CNC1CNc2ccnn2C1
InChIInChI=1S/C14H17N5O/c15-14(20)12-4-2-1-3-10(12)7-16-11-8-17-13-5-6-18-19(13)9-11/h1-6,11,16-17H,7-9H2,(H2,15,20)
InChIKeySLXRIKQSGXAPNE-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.57
Rot. Bonds4

About 2-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylamino)methyl]benzamide

2-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylamino)methyl]benzamide (PubChem CID 175877743) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylamino)methyl]benzamide.

Molecular Properties

Compound Name2-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylamino)methyl]benzamide
PubChem CID175877743
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylamino)methyl]benzamide
SMILESNC(=O)c1ccccc1CNC1CNc2ccnn2C1
InChIInChI=1S/C14H17N5O/c15-14(20)12-4-2-1-3-10(12)7-16-11-8-17-13-5-6-18-19(13)9-11/h1-6,11,16-17H,7-9H2,(H2,15,20)
InChIKeySLXRIKQSGXAPNE-UHFFFAOYSA-N
XLogP0.57
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylamino)methyl]benzamide?
The IUPAC name of 2-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylamino)methyl]benzamide (CID 175877743) is 2-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylamino)methyl]benzamide.
What is the SMILES notation for 2-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylamino)methyl]benzamide?
The canonical SMILES for 2-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylamino)methyl]benzamide is NC(=O)c1ccccc1CNC1CNc2ccnn2C1.
What is the InChIKey of 2-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylamino)methyl]benzamide?
The InChIKey is SLXRIKQSGXAPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c15-14(20)12-4-2-1-3-10(12)7-16-11-8-17-13-5-6-18-19(13)9-11/h1-6,11,16-17H,7-9H2,(H2,15,20).
What are the key properties of 2-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylamino)methyl]benzamide?
2-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylamino)methyl]benzamide has a molecular weight of 271.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylamino)methyl]benzamide is sourced from PubChem (CID 175877743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).