N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine

C10H17N7 — CID 114075416

IUPACN-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
SMILESCC(NCc1cnn(C(C)C)c1)c1nn[nH]n1
InChIInChI=1S/C10H17N7/c1-7(2)17-6-9(5-12-17)4-11-8(3)10-13-15-16-14-10/h5-8,11H,4H2,1-3H3,(H,13,14,15,16)
InChIKeyDZUPSVZPLCRDPF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.83
Rot. Bonds5

About N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine

N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine (PubChem CID 114075416) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
PubChem CID114075416
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC NameN-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
SMILESCC(NCc1cnn(C(C)C)c1)c1nn[nH]n1
InChIInChI=1S/C10H17N7/c1-7(2)17-6-9(5-12-17)4-11-8(3)10-13-15-16-14-10/h5-8,11H,4H2,1-3H3,(H,13,14,15,16)
InChIKeyDZUPSVZPLCRDPF-UHFFFAOYSA-N
XLogP0.83
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The IUPAC name of N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine (CID 114075416) is N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine.
What is the SMILES notation for N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The canonical SMILES for N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine is CC(NCc1cnn(C(C)C)c1)c1nn[nH]n1.
What is the InChIKey of N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The InChIKey is DZUPSVZPLCRDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-7(2)17-6-9(5-12-17)4-11-8(3)10-13-15-16-14-10/h5-8,11H,4H2,1-3H3,(H,13,14,15,16).
What are the key properties of N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine has a molecular weight of 235.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine is sourced from PubChem (CID 114075416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).