N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide

C17H24N6O — CID 72882817

IUPACN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)NCCCn1nccc1C1CC1
InChIInChI=1S/C17H24N6O/c1-12-14(11-19-17(21-12)22(2)3)16(24)18-8-4-10-23-15(7-9-20-23)13-5-6-13/h7,9,11,13H,4-6,8,10H2,1-3H3,(H,18,24)
InChIKeyDEFLMQGVINPOEO-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.75
Rot. Bonds7

About N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide

N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide (PubChem CID 72882817) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
PubChem CID72882817
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)NCCCn1nccc1C1CC1
InChIInChI=1S/C17H24N6O/c1-12-14(11-19-17(21-12)22(2)3)16(24)18-8-4-10-23-15(7-9-20-23)13-5-6-13/h7,9,11,13H,4-6,8,10H2,1-3H3,(H,18,24)
InChIKeyDEFLMQGVINPOEO-UHFFFAOYSA-N
XLogP1.75
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-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 N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide (CID 72882817) is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide is Cc1nc(N(C)C)ncc1C(=O)NCCCn1nccc1C1CC1.
What is the InChIKey of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
The InChIKey is DEFLMQGVINPOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12-14(11-19-17(21-12)22(2)3)16(24)18-8-4-10-23-15(7-9-20-23)13-5-6-13/h7,9,11,13H,4-6,8,10H2,1-3H3,(H,18,24).
What are the key properties of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 72882817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).