N-tert-butyl-5-methyl-1H-pyrazol-3-amine

C8H15N3 — CID 21106513

IUPACN-tert-butyl-5-methyl-1H-pyrazol-3-amine
SMILESCc1cc(NC(C)(C)C)n[nH]1
InChIInChI=1S/C8H15N3/c1-6-5-7(11-10-6)9-8(2,3)4/h5H,1-4H3,(H2,9,10,11)
InChIKeyPRVUVAFPHHQFNP-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.93
Rot. Bonds1

About N-tert-butyl-5-methyl-1H-pyrazol-3-amine

N-tert-butyl-5-methyl-1H-pyrazol-3-amine (PubChem CID 21106513) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-tert-butyl-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-tert-butyl-5-methyl-1H-pyrazol-3-amine
PubChem CID21106513
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-tert-butyl-5-methyl-1H-pyrazol-3-amine
SMILESCc1cc(NC(C)(C)C)n[nH]1
InChIInChI=1S/C8H15N3/c1-6-5-7(11-10-6)9-8(2,3)4/h5H,1-4H3,(H2,9,10,11)
InChIKeyPRVUVAFPHHQFNP-UHFFFAOYSA-N
XLogP1.93
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of N-tert-butyl-5-methyl-1H-pyrazol-3-amine (CID 21106513) is N-tert-butyl-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-tert-butyl-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for N-tert-butyl-5-methyl-1H-pyrazol-3-amine is Cc1cc(NC(C)(C)C)n[nH]1.
What is the InChIKey of N-tert-butyl-5-methyl-1H-pyrazol-3-amine?
The InChIKey is PRVUVAFPHHQFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6-5-7(11-10-6)9-8(2,3)4/h5H,1-4H3,(H2,9,10,11).
What are the key properties of N-tert-butyl-5-methyl-1H-pyrazol-3-amine?
N-tert-butyl-5-methyl-1H-pyrazol-3-amine has a molecular weight of 153.23 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 21106513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).