N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C12H15N7 — CID 133378136

IUPACN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cc(CC(C)Nc2ncnc3[nH]ncc23)n[nH]1
InChIInChI=1S/C12H15N7/c1-7(3-9-4-8(2)17-18-9)16-11-10-5-15-19-12(10)14-6-13-11/h4-7H,3H2,1-2H3,(H,17,18)(H2,13,14,15,16,19)
InChIKeyOLNTYRFRDMYJIG-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.43
Rot. Bonds4

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

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133378136) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133378136
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cc(CC(C)Nc2ncnc3[nH]ncc23)n[nH]1
InChIInChI=1S/C12H15N7/c1-7(3-9-4-8(2)17-18-9)16-11-10-5-15-19-12(10)14-6-13-11/h4-7H,3H2,1-2H3,(H,17,18)(H2,13,14,15,16,19)
InChIKeyOLNTYRFRDMYJIG-UHFFFAOYSA-N
XLogP1.43
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 133378136) is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1cc(CC(C)Nc2ncnc3[nH]ncc23)n[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is OLNTYRFRDMYJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-7(3-9-4-8(2)17-18-9)16-11-10-5-15-19-12(10)14-6-13-11/h4-7H,3H2,1-2H3,(H,17,18)(H2,13,14,15,16,19).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 257.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133378136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).