N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H22N4O2 — CID 86822712

IUPACN-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCOCCCNC(=O)c1c(C)nn2cccnc12
InChIInChI=1S/C15H22N4O2/c1-3-4-10-21-11-6-8-17-15(20)13-12(2)18-19-9-5-7-16-14(13)19/h5,7,9H,3-4,6,8,10-11H2,1-2H3,(H,17,20)
InChIKeyDGJTWGHKZLMEDO-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.97
Rot. Bonds8

About N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86822712) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86822712
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCOCCCNC(=O)c1c(C)nn2cccnc12
InChIInChI=1S/C15H22N4O2/c1-3-4-10-21-11-6-8-17-15(20)13-12(2)18-19-9-5-7-16-14(13)19/h5,7,9H,3-4,6,8,10-11H2,1-2H3,(H,17,20)
InChIKeyDGJTWGHKZLMEDO-UHFFFAOYSA-N
XLogP1.97
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462073
N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86839885
N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 96568768
2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87045926
2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480
N-[(2-hydroxycyclopentyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111471418
N-[(1-hydroxycyclopentyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111333145
N-methoxy-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044923
N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315776
2-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71934142
2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119050637
2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86822964

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86822712) is N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCCOCCCNC(=O)c1c(C)nn2cccnc12.
What is the InChIKey of N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DGJTWGHKZLMEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-4-10-21-11-6-8-17-15(20)13-12(2)18-19-9-5-7-16-14(13)19/h5,7,9H,3-4,6,8,10-11H2,1-2H3,(H,17,20).
What are the key properties of N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86822712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).