1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C14H19N7 — CID 138008326

IUPAC1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1ncc2c(NCCc3ccn[nH]3)ncnc21
InChIInChI=1S/C14H19N7/c1-14(2,3)21-13-11(8-19-21)12(16-9-17-13)15-6-4-10-5-7-18-20-10/h5,7-9H,4,6H2,1-3H3,(H,18,20)(H,15,16,17)
InChIKeyKRSMDOFIHCNPTM-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.96
Rot. Bonds4

About 1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 138008326) has the molecular formula C14H19N7 and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID138008326
Molecular FormulaC14H19N7
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1ncc2c(NCCc3ccn[nH]3)ncnc21
InChIInChI=1S/C14H19N7/c1-14(2,3)21-13-11(8-19-21)12(16-9-17-13)15-6-4-10-5-7-18-20-10/h5,7-9H,4,6H2,1-3H3,(H,18,20)(H,15,16,17)
InChIKeyKRSMDOFIHCNPTM-UHFFFAOYSA-N
XLogP1.96
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 75470437
1-tert-butyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 166249640
3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 167925262
1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
CID 133435832
1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 133480522
4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 47295068
(2R)-2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 122050626
1-tert-butyl-N-[3-methoxy-4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 167951902
1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 133440412
methyl 3-[4-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-methylpropanoate
CID 133466614
N-ethyl-2-(1H-pyrazol-5-yl)ethanamine
CID 57167438
N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133473317

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 138008326) is 1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)n1ncc2c(NCCc3ccn[nH]3)ncnc21.
What is the InChIKey of 1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KRSMDOFIHCNPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-14(2,3)21-13-11(8-19-21)12(16-9-17-13)15-6-4-10-5-7-18-20-10/h5,7-9H,4,6H2,1-3H3,(H,18,20)(H,15,16,17).
What are the key properties of 1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 285.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 138008326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).