7-N-[(2-methylcyclopropyl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C19H19N5O2 — CID 75436506

IUPAC7-N-[(2-methylcyclopropyl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCC1CC1C(NC(=O)c1ccnc2c(C(N)=O)cnn12)c1ccccc1
InChIInChI=1S/C19H19N5O2/c1-11-9-13(11)16(12-5-3-2-4-6-12)23-19(26)15-7-8-21-18-14(17(20)25)10-22-24(15)18/h2-8,10-11,13,16H,9H2,1H3,(H2,20,25)(H,23,26)
InChIKeyRZAJLGLBGPWCPV-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.96
Rot. Bonds5

About 7-N-[(2-methylcyclopropyl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

7-N-[(2-methylcyclopropyl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 75436506) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 7-N-[(2-methylcyclopropyl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(2-methylcyclopropyl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID75436506
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name7-N-[(2-methylcyclopropyl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCC1CC1C(NC(=O)c1ccnc2c(C(N)=O)cnn12)c1ccccc1
InChIInChI=1S/C19H19N5O2/c1-11-9-13(11)16(12-5-3-2-4-6-12)23-19(26)15-7-8-21-18-14(17(20)25)10-22-24(15)18/h2-8,10-11,13,16H,9H2,1H3,(H2,20,25)(H,23,26)
InChIKeyRZAJLGLBGPWCPV-UHFFFAOYSA-N
XLogP1.96
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-N-[(2-methylcyclopropyl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-[(2-methylcyclopropyl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 75436506) is 7-N-[(2-methylcyclopropyl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-[(2-methylcyclopropyl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-[(2-methylcyclopropyl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is CC1CC1C(NC(=O)c1ccnc2c(C(N)=O)cnn12)c1ccccc1.
What is the InChIKey of 7-N-[(2-methylcyclopropyl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is RZAJLGLBGPWCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-11-9-13(11)16(12-5-3-2-4-6-12)23-19(26)15-7-8-21-18-14(17(20)25)10-22-24(15)18/h2-8,10-11,13,16H,9H2,1H3,(H2,20,25)(H,23,26).
What are the key properties of 7-N-[(2-methylcyclopropyl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-[(2-methylcyclopropyl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(2-methylcyclopropyl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 75436506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).