3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine

C22H19ClN8 — CID 19975783

IUPAC3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(N(C)c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2ncc(Cl)c2n1
InChIInChI=1S/C22H19ClN8/c1-3-15-12-20(31-22(25-15)19(23)13-24-31)30(2)16-10-8-14(9-11-16)17-6-4-5-7-18(17)21-26-28-29-27-21/h4-13H,3H2,1-2H3,(H,26,27,28,29)
InChIKeyGDTRUCMXHCMVES-UHFFFAOYSA-N
MW430.90 g/mol
LogP4.56
Rot. Bonds5

About 3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 19975783) has the molecular formula C22H19ClN8 and a molecular weight of 430.90 g/mol. Its IUPAC name is 3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID19975783
Molecular FormulaC22H19ClN8
Molecular Weight430.90 g/mol
Exact Mass430.14
IUPAC Name3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(N(C)c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2ncc(Cl)c2n1
InChIInChI=1S/C22H19ClN8/c1-3-15-12-20(31-22(25-15)19(23)13-24-31)30(2)16-10-8-14(9-11-16)17-6-4-5-7-18(17)21-26-28-29-27-21/h4-13H,3H2,1-2H3,(H,26,27,28,29)
InChIKeyGDTRUCMXHCMVES-UHFFFAOYSA-N
XLogP4.56
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
CID 23372849
5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 19975930
N-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]-3,5-diethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 54408477
N-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 54158998
3-chloro-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride
CID 67862650
3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride
CID 67862107
[6-ethyl-2-methyl-4-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]-3-pyridinyl]-phenylmethanone
CID 54140911
N-[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 54490408
(R)-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-5-yl)-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol
CID 57193343
2-ethyl-7-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
CID 10435012
7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 57046645
2,5-diethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 57138499

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 19975783) is 3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(N(C)c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2ncc(Cl)c2n1.
What is the InChIKey of 3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GDTRUCMXHCMVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN8/c1-3-15-12-20(31-22(25-15)19(23)13-24-31)30(2)16-10-8-14(9-11-16)17-6-4-5-7-18(17)21-26-28-29-27-21/h4-13H,3H2,1-2H3,(H,26,27,28,29).
What are the key properties of 3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 430.90 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 19975783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).