N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C18H21ClN4 — CID 3815077

IUPACN-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCNc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12
InChIInChI=1S/C18H21ClN4/c1-4-5-10-20-16-11-12(2)21-18-17(13(3)22-23(16)18)14-6-8-15(19)9-7-14/h6-9,11,20H,4-5,10H2,1-3H3
InChIKeyDFCDPVQYZRCFIO-UHFFFAOYSA-N
MW328.85 g/mol
LogP4.88
Rot. Bonds5

About N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3815077) has the molecular formula C18H21ClN4 and a molecular weight of 328.85 g/mol. Its IUPAC name is N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3815077
Molecular FormulaC18H21ClN4
Molecular Weight328.85 g/mol
Exact Mass328.15
IUPAC NameN-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCNc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12
InChIInChI=1S/C18H21ClN4/c1-4-5-10-20-16-11-12(2)21-18-17(13(3)22-23(16)18)14-6-8-15(19)9-7-14/h6-9,11,20H,4-5,10H2,1-3H3
InChIKeyDFCDPVQYZRCFIO-UHFFFAOYSA-N
XLogP4.88
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2044926
3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4639362
3-(4-chlorophenyl)-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4559446
3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5213569
N-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4144297
N-butyl-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46299225
N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4905434
2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 16668304
5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3321782
7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 8707777
3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 153316955
N'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 142655022

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3815077) is N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is CCCCNc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12.
What is the InChIKey of N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DFCDPVQYZRCFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4/c1-4-5-10-20-16-11-12(2)21-18-17(13(3)22-23(16)18)14-6-8-15(19)9-7-14/h6-9,11,20H,4-5,10H2,1-3H3.
What are the key properties of N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 328.85 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3815077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).