6-bromo-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C13H13BrN6O — CID 2980525

IUPAC6-bromo-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C13H13BrN6O/c14-10-7-17-12-6-11(18-20(12)8-10)13(21)16-2-1-4-19-5-3-15-9-19/h3,5-9H,1-2,4H2,(H,16,21)
InChIKeyADMNHPDQEIKQAH-UHFFFAOYSA-N
MW349.19 g/mol
LogP1.51
Rot. Bonds5

About 6-bromo-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

6-bromo-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2980525) has the molecular formula C13H13BrN6O and a molecular weight of 349.19 g/mol. Its IUPAC name is 6-bromo-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2980525
Molecular FormulaC13H13BrN6O
Molecular Weight349.19 g/mol
Exact Mass348.03
IUPAC Name6-bromo-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C13H13BrN6O/c14-10-7-17-12-6-11(18-20(12)8-10)13(21)16-2-1-4-19-5-3-15-9-19/h3,5-9H,1-2,4H2,(H,16,21)
InChIKeyADMNHPDQEIKQAH-UHFFFAOYSA-N
XLogP1.51
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-bromo-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

US10155765, Example 31
CID 121493987
6-(6-Bromo-pyrazolo[1,5-a]pyrimidine-2-carbonyl)-3,4,5,6,7,8-hexahydro-thiazolo[4,5-d]azepin-2-one
CID 71748063
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 689338
3,6-dibromo-N-butylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3094294
N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181591
5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181594
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
CID 2842282
N-allyl-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2171634
3,6-dibromo-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1733312
(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepin-6-yl)-methanone
CID 71748082
6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2237560
US10155765, Example 14
CID 122515240

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2980525) is 6-bromo-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCCCn1ccnc1)c1cc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ADMNHPDQEIKQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN6O/c14-10-7-17-12-6-11(18-20(12)8-10)13(21)16-2-1-4-19-5-3-15-9-19/h3,5-9H,1-2,4H2,(H,16,21).
What are the key properties of 6-bromo-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 349.19 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2980525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).