N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine

C15H28N4 — CID 47331709

IUPACN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
SMILESCCN1CCC(CNCc2cn[nH]c2C(C)(C)C)C1
InChIInChI=1S/C15H28N4/c1-5-19-7-6-12(11-19)8-16-9-13-10-17-18-14(13)15(2,3)4/h10,12,16H,5-9,11H2,1-4H3,(H,17,18)
InChIKeyVRFBXRMPQFEQQV-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.14
Rot. Bonds5

About N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine

N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine (PubChem CID 47331709) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
PubChem CID47331709
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
SMILESCCN1CCC(CNCc2cn[nH]c2C(C)(C)C)C1
InChIInChI=1S/C15H28N4/c1-5-19-7-6-12(11-19)8-16-9-13-10-17-18-14(13)15(2,3)4/h10,12,16H,5-9,11H2,1-4H3,(H,17,18)
InChIKeyVRFBXRMPQFEQQV-UHFFFAOYSA-N
XLogP2.14
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methyl-1H-pyrazol-4-yl)piperidine
CID 82414450
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
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
CID 56817416
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 56820931
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
CID 71879887
N,N-dimethyl-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-sulfonamide
CID 73439586
2-[4-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]-N,N-dimethylethanamine
CID 96014510
7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride
CID 126794687
3-(4,4-dimethylpyrrolidin-3-yl)-1H-pyrazole dihydrochloride
CID 154852994
2-{[(3-tert-butyl-1H-pyrazol-4-yl)methyl]amino}-1-(pyrrolidin-1-yl)ethan-1-one
CID 47331643
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride
CID 47331708

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine (CID 47331709) is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine is CCN1CCC(CNCc2cn[nH]c2C(C)(C)C)C1.
What is the InChIKey of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine?
The InChIKey is VRFBXRMPQFEQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-19-7-6-12(11-19)8-16-9-13-10-17-18-14(13)15(2,3)4/h10,12,16H,5-9,11H2,1-4H3,(H,17,18).
What are the key properties of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine?
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine has a molecular weight of 264.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 47331709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).