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

C10H19N3 — CID 59485529

IUPACN-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine
SMILESCCN(c1cc(C)[nH]n1)C(C)(C)C
InChIInChI=1S/C10H19N3/c1-6-13(10(3,4)5)9-7-8(2)11-12-9/h7H,6H2,1-5H3,(H,11,12)
InChIKeyAMOOMZPDQSVHGZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.34
Rot. Bonds2

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

N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine (PubChem CID 59485529) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine
PubChem CID59485529
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine
SMILESCCN(c1cc(C)[nH]n1)C(C)(C)C
InChIInChI=1S/C10H19N3/c1-6-13(10(3,4)5)9-7-8(2)11-12-9/h7H,6H2,1-5H3,(H,11,12)
InChIKeyAMOOMZPDQSVHGZ-UHFFFAOYSA-N
XLogP2.34
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-1H-pyrazol-5-yl)piperidin-4-amine
CID 75480354
1-(5-methyl-1H-pyrazol-3-yl)piperazine
CID 62548256
1-(3-methyl-1H-pyrazol-5-yl)piperazine dihydrochloride
CID 126809354
N-ethyl-5-methyl-1H-pyrazol-3-amine
CID 45092829
1-Cyclobutyl-4-(5-methyl-1H-pyrazol-3-YL)piperazine
CID 99842589
N-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide
CID 100731486
Ethyl-(5-trifluoromethyl-2H-pyrazol-3-yl)-amine
CID 56965660
N,N-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 18677121
N-isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 56965643
N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 71062423
1-prop-2-ynyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine
CID 132133537
5-(difluoromethyl)-N-propan-2-yl-1H-pyrazol-3-amine
CID 169237360

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine (CID 59485529) is N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine is CCN(c1cc(C)[nH]n1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine?
The InChIKey is AMOOMZPDQSVHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-6-13(10(3,4)5)9-7-8(2)11-12-9/h7H,6H2,1-5H3,(H,11,12).
What are the key properties of N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine?
N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine has a molecular weight of 181.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 59485529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).