5-N-(2-chloro-4-methoxyphenyl)-5-N-(2-methoxyethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine

C22H30ClN5O2 — CID 56683761

IUPAC5-N-(2-chloro-4-methoxyphenyl)-5-N-(2-methoxyethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCCN(CCC)c1cc(N(CCOC)c2ccc(OC)cc2Cl)nc2ccnn12
InChIInChI=1S/C22H30ClN5O2/c1-5-11-26(12-6-2)22-16-21(25-20-9-10-24-28(20)22)27(13-14-29-3)19-8-7-17(30-4)15-18(19)23/h7-10,15-16H,5-6,11-14H2,1-4H3
InChIKeyRNSSSYXWTPONBR-UHFFFAOYSA-N
MW431.97 g/mol
LogP4.80
Rot. Bonds11

About 5-N-(2-chloro-4-methoxyphenyl)-5-N-(2-methoxyethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine

5-N-(2-chloro-4-methoxyphenyl)-5-N-(2-methoxyethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 56683761) has the molecular formula C22H30ClN5O2 and a molecular weight of 431.97 g/mol. Its IUPAC name is 5-N-(2-chloro-4-methoxyphenyl)-5-N-(2-methoxyethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-(2-chloro-4-methoxyphenyl)-5-N-(2-methoxyethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID56683761
Molecular FormulaC22H30ClN5O2
Molecular Weight431.97 g/mol
Exact Mass431.21
IUPAC Name5-N-(2-chloro-4-methoxyphenyl)-5-N-(2-methoxyethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCCN(CCC)c1cc(N(CCOC)c2ccc(OC)cc2Cl)nc2ccnn12
InChIInChI=1S/C22H30ClN5O2/c1-5-11-26(12-6-2)22-16-21(25-20-9-10-24-28(20)22)27(13-14-29-3)19-8-7-17(30-4)15-18(19)23/h7-10,15-16H,5-6,11-14H2,1-4H3
InChIKeyRNSSSYXWTPONBR-UHFFFAOYSA-N
XLogP4.80
TPSA55.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.97
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-chloro-4-methoxyphenyl)-5-N-(2-methoxyethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-(2-chloro-4-methoxyphenyl)-5-N-(2-methoxyethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 56683761) is 5-N-(2-chloro-4-methoxyphenyl)-5-N-(2-methoxyethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-(2-chloro-4-methoxyphenyl)-5-N-(2-methoxyethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-(2-chloro-4-methoxyphenyl)-5-N-(2-methoxyethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine is CCCN(CCC)c1cc(N(CCOC)c2ccc(OC)cc2Cl)nc2ccnn12.
What is the InChIKey of 5-N-(2-chloro-4-methoxyphenyl)-5-N-(2-methoxyethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is RNSSSYXWTPONBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN5O2/c1-5-11-26(12-6-2)22-16-21(25-20-9-10-24-28(20)22)27(13-14-29-3)19-8-7-17(30-4)15-18(19)23/h7-10,15-16H,5-6,11-14H2,1-4H3.
What are the key properties of 5-N-(2-chloro-4-methoxyphenyl)-5-N-(2-methoxyethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
5-N-(2-chloro-4-methoxyphenyl)-5-N-(2-methoxyethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 431.97 g/mol, XLogP of 4.80, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-chloro-4-methoxyphenyl)-5-N-(2-methoxyethyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 56683761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).