N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine

C11H21N3 — CID 112732597

IUPACN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cn[nH]c1C(C)(C)C
InChIInChI=1S/C11H21N3/c1-5-6-12-7-9-8-13-14-10(9)11(2,3)4/h8,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyHPKDZQHHKJXGHG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.21
Rot. Bonds4

About N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine

N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 112732597) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID112732597
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cn[nH]c1C(C)(C)C
InChIInChI=1S/C11H21N3/c1-5-6-12-7-9-8-13-14-10(9)11(2,3)4/h8,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyHPKDZQHHKJXGHG-UHFFFAOYSA-N
XLogP2.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
CID 14539719
4-(3-methyl-1H-pyrazol-4-yl)piperidine
CID 82414450
3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 2736943
4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 2760583
1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine dihydrochloride
CID 2760582
4-methyl-5-(propan-2-yl)-1H-pyrazole
CID 3815893
5-methyl-1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine
CID 20825790
3-cyclopropyl-4-methyl-1H-pyrazole
CID 57060901
Butyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
CID 14539720
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 47331709
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 53506695
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 56798039

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 112732597) is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine is CCCNCc1cn[nH]c1C(C)(C)C.
What is the InChIKey of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is HPKDZQHHKJXGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-6-12-7-9-8-13-14-10(9)11(2,3)4/h8,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 112732597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).