3-chloro-6-N-(1-ethylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

C10H11ClN8 — CID 153060916

IUPAC3-chloro-6-N-(1-ethylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCn1cc(Nc2nc(N)c3c(Cl)[nH]nc3n2)cn1
InChIInChI=1S/C10H11ClN8/c1-2-19-4-5(3-13-19)14-10-15-8(12)6-7(11)17-18-9(6)16-10/h3-4H,2H2,1H3,(H4,12,14,15,16,17,18)
InChIKeyVJKUASPKXPCBRF-UHFFFAOYSA-N
MW278.71 g/mol
LogP1.55
Rot. Bonds3

About 3-chloro-6-N-(1-ethylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

3-chloro-6-N-(1-ethylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 153060916) has the molecular formula C10H11ClN8 and a molecular weight of 278.71 g/mol. Its IUPAC name is 3-chloro-6-N-(1-ethylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name3-chloro-6-N-(1-ethylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID153060916
Molecular FormulaC10H11ClN8
Molecular Weight278.71 g/mol
Exact Mass278.08
IUPAC Name3-chloro-6-N-(1-ethylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCn1cc(Nc2nc(N)c3c(Cl)[nH]nc3n2)cn1
InChIInChI=1S/C10H11ClN8/c1-2-19-4-5(3-13-19)14-10-15-8(12)6-7(11)17-18-9(6)16-10/h3-4H,2H2,1H3,(H4,12,14,15,16,17,18)
InChIKeyVJKUASPKXPCBRF-UHFFFAOYSA-N
XLogP1.55
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-2-[3-[[3-chloro-6-[(1-ethylpyrazol-4-yl)amino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy]piperidine-1-carbonyl]-3-cyclopropylprop-2-enenitrile
CID 155166100
4-amino-2-[(1-ethylpyrazol-4-yl)amino]-6-(methylamino)pyrimidine-5-carboximidoyl chloride
CID 163629666
2-[4-[(4-amino-5-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]-N-methylacetamide
CID 147003138
4-(3-aminophenyl)-N-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 172684015
3-chloro-N-(1-cyclopropylpyrazol-4-yl)-4-piperidin-3-yloxy-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 155165996
N,1-diethylpyrazol-4-amine
CID 43543394
2-amino-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62147505
2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane
CID 144695467
5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 166452178
4-amino-5-ethyl-N-(1-ethylpyrazol-4-yl)-1H-pyrazole-3-carboxamide
CID 62082337
4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine
CID 114053016
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-N-(1-ethylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 3-chloro-6-N-(1-ethylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 153060916) is 3-chloro-6-N-(1-ethylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 3-chloro-6-N-(1-ethylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 3-chloro-6-N-(1-ethylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is CCn1cc(Nc2nc(N)c3c(Cl)[nH]nc3n2)cn1.
What is the InChIKey of 3-chloro-6-N-(1-ethylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is VJKUASPKXPCBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN8/c1-2-19-4-5(3-13-19)14-10-15-8(12)6-7(11)17-18-9(6)16-10/h3-4H,2H2,1H3,(H4,12,14,15,16,17,18).
What are the key properties of 3-chloro-6-N-(1-ethylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
3-chloro-6-N-(1-ethylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 278.71 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-N-(1-ethylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 153060916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).