N-[3-(4-chlorophenoxy)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19ClN4O2 — CID 87029251

IUPACN-[3-(4-chlorophenoxy)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)N(C)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O2/c1-13-16(17-20-9-3-11-23(17)21-13)18(24)22(2)10-4-12-25-15-7-5-14(19)6-8-15/h3,5-9,11H,4,10,12H2,1-2H3
InChIKeyQXKBBCUMZXGTDO-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.23
Rot. Bonds6

About N-[3-(4-chlorophenoxy)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(4-chlorophenoxy)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 87029251) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[3-(4-chlorophenoxy)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenoxy)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID87029251
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-[3-(4-chlorophenoxy)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)N(C)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O2/c1-13-16(17-20-9-3-11-23(17)21-13)18(24)22(2)10-4-12-25-15-7-5-14(19)6-8-15/h3,5-9,11H,4,10,12H2,1-2H3
InChIKeyQXKBBCUMZXGTDO-UHFFFAOYSA-N
XLogP3.23
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methoxyphenyl)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86821324
N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 96568768
2-(4-chlorophenoxy)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone
CID 55888174
N-methoxy-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044923
N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86822712
N-[3-(4-chlorophenoxy)propyl]-N,4-dimethyl-2-propyl-1,3-thiazole-5-carboxamide
CID 55898225
5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 31284852
N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119739919
N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 47067363
2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480
N-[3-(4-chlorophenoxy)propyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55898353
pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 86846448

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenoxy)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(4-chlorophenoxy)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 87029251) is N-[3-(4-chlorophenoxy)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenoxy)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenoxy)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)N(C)CCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenoxy)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QXKBBCUMZXGTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-13-16(17-20-9-3-11-23(17)21-13)18(24)22(2)10-4-12-25-15-7-5-14(19)6-8-15/h3,5-9,11H,4,10,12H2,1-2H3.
What are the key properties of N-[3-(4-chlorophenoxy)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(4-chlorophenoxy)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenoxy)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 87029251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).