2-(1-benzylpyrazol-4-yl)-7-[(prop-2-enoylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H23N7O2 — CID 136983684

IUPAC2-(1-benzylpyrazol-4-yl)-7-[(prop-2-enoylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=CC(=O)NCC1CCNc2c(C(N)=O)c(-c3cnn(Cc4ccccc4)c3)nn21
InChIInChI=1S/C21H23N7O2/c1-2-17(29)24-11-16-8-9-23-21-18(20(22)30)19(26-28(16)21)15-10-25-27(13-15)12-14-6-4-3-5-7-14/h2-7,10,13,16,23H,1,8-9,11-12H2,(H2,22,30)(H,24,29)
InChIKeyZNAOKNAUGINXIH-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.55
Rot. Bonds7

About 2-(1-benzylpyrazol-4-yl)-7-[(prop-2-enoylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-(1-benzylpyrazol-4-yl)-7-[(prop-2-enoylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136983684) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-(1-benzylpyrazol-4-yl)-7-[(prop-2-enoylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-(1-benzylpyrazol-4-yl)-7-[(prop-2-enoylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136983684
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name2-(1-benzylpyrazol-4-yl)-7-[(prop-2-enoylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=CC(=O)NCC1CCNc2c(C(N)=O)c(-c3cnn(Cc4ccccc4)c3)nn21
InChIInChI=1S/C21H23N7O2/c1-2-17(29)24-11-16-8-9-23-21-18(20(22)30)19(26-28(16)21)15-10-25-27(13-15)12-14-6-4-3-5-7-14/h2-7,10,13,16,23H,1,8-9,11-12H2,(H2,22,30)(H,24,29)
InChIKeyZNAOKNAUGINXIH-UHFFFAOYSA-N
XLogP1.55
TPSA119.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(1-benzylpyrazol-4-yl)-7-[(prop-2-enoylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrazol-4-yl)-7-[(prop-2-enoylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-(1-benzylpyrazol-4-yl)-7-[(prop-2-enoylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136983684) is 2-(1-benzylpyrazol-4-yl)-7-[(prop-2-enoylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-(1-benzylpyrazol-4-yl)-7-[(prop-2-enoylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-(1-benzylpyrazol-4-yl)-7-[(prop-2-enoylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is C=CC(=O)NCC1CCNc2c(C(N)=O)c(-c3cnn(Cc4ccccc4)c3)nn21.
What is the InChIKey of 2-(1-benzylpyrazol-4-yl)-7-[(prop-2-enoylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZNAOKNAUGINXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-2-17(29)24-11-16-8-9-23-21-18(20(22)30)19(26-28(16)21)15-10-25-27(13-15)12-14-6-4-3-5-7-14/h2-7,10,13,16,23H,1,8-9,11-12H2,(H2,22,30)(H,24,29).
What are the key properties of 2-(1-benzylpyrazol-4-yl)-7-[(prop-2-enoylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-(1-benzylpyrazol-4-yl)-7-[(prop-2-enoylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrazol-4-yl)-7-[(prop-2-enoylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136983684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).