N-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H25N7O — CID 19468764

IUPACN-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(-c2ccnc3cc(C(=O)NCCCN(C)C)nn23)c1C
InChIInChI=1S/C18H25N7O/c1-5-24-13(2)14(12-21-24)16-7-9-19-17-11-15(22-25(16)17)18(26)20-8-6-10-23(3)4/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,20,26)
InChIKeyAPUALQZMTCFHDK-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.60
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19468764) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19468764
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC NameN-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(-c2ccnc3cc(C(=O)NCCCN(C)C)nn23)c1C
InChIInChI=1S/C18H25N7O/c1-5-24-13(2)14(12-21-24)16-7-9-19-17-11-15(22-25(16)17)18(26)20-8-6-10-23(3)4/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,20,26)
InChIKeyAPUALQZMTCFHDK-UHFFFAOYSA-N
XLogP1.60
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468755
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468807
methyl 2-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]acetate
CID 19414314
7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466483
7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776201
N-cyclohexyl-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468763
N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19414430
7-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441256
7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441266
7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441267
ethyl 5-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19414384
7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19581526

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19468764) is N-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1ncc(-c2ccnc3cc(C(=O)NCCCN(C)C)nn23)c1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is APUALQZMTCFHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-5-24-13(2)14(12-21-24)16-7-9-19-17-11-15(22-25(16)17)18(26)20-8-6-10-23(3)4/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,20,26).
What are the key properties of N-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 355.45 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19468764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).