5-tert-butyl-N-propan-2-yl-1H-pyrazol-3-amine

C10H19N3 — CID 63047808

IUPAC5-tert-butyl-N-propan-2-yl-1H-pyrazol-3-amine
SMILESCC(C)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C10H19N3/c1-7(2)11-9-6-8(12-13-9)10(3,4)5/h6-7H,1-5H3,(H2,11,12,13)
InChIKeyVKLCKQPMXCBVLB-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.53
Rot. Bonds2

About 5-tert-butyl-N-propan-2-yl-1H-pyrazol-3-amine

5-tert-butyl-N-propan-2-yl-1H-pyrazol-3-amine (PubChem CID 63047808) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-tert-butyl-N-propan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-N-propan-2-yl-1H-pyrazol-3-amine
PubChem CID63047808
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5-tert-butyl-N-propan-2-yl-1H-pyrazol-3-amine
SMILESCC(C)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C10H19N3/c1-7(2)11-9-6-8(12-13-9)10(3,4)5/h6-7H,1-5H3,(H2,11,12,13)
InChIKeyVKLCKQPMXCBVLB-UHFFFAOYSA-N
XLogP2.53
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-propan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-tert-butyl-N-propan-2-yl-1H-pyrazol-3-amine (CID 63047808) is 5-tert-butyl-N-propan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-tert-butyl-N-propan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-tert-butyl-N-propan-2-yl-1H-pyrazol-3-amine is CC(C)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 5-tert-butyl-N-propan-2-yl-1H-pyrazol-3-amine?
The InChIKey is VKLCKQPMXCBVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-7(2)11-9-6-8(12-13-9)10(3,4)5/h6-7H,1-5H3,(H2,11,12,13).
What are the key properties of 5-tert-butyl-N-propan-2-yl-1H-pyrazol-3-amine?
5-tert-butyl-N-propan-2-yl-1H-pyrazol-3-amine has a molecular weight of 181.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-propan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 63047808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).