N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine

C16H30N4 — CID 56820931

IUPACN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCC(C)N1CCC(CNCc2cn[nH]c2C(C)(C)C)C1
InChIInChI=1S/C16H30N4/c1-12(2)20-7-6-13(11-20)8-17-9-14-10-18-19-15(14)16(3,4)5/h10,12-13,17H,6-9,11H2,1-5H3,(H,18,19)
InChIKeyZVJRQTRVZLVVTM-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.53
Rot. Bonds5

About N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine

N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine (PubChem CID 56820931) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
PubChem CID56820931
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCC(C)N1CCC(CNCc2cn[nH]c2C(C)(C)C)C1
InChIInChI=1S/C16H30N4/c1-12(2)20-7-6-13(11-20)8-17-9-14-10-18-19-15(14)16(3,4)5/h10,12-13,17H,6-9,11H2,1-5H3,(H,18,19)
InChIKeyZVJRQTRVZLVVTM-UHFFFAOYSA-N
XLogP2.53
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
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-(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
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
N-[3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]methanesulfonamide
CID 49462151
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
CID 53506694

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine (CID 56820931) is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine is CC(C)N1CCC(CNCc2cn[nH]c2C(C)(C)C)C1.
What is the InChIKey of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The InChIKey is ZVJRQTRVZLVVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12(2)20-7-6-13(11-20)8-17-9-14-10-18-19-15(14)16(3,4)5/h10,12-13,17H,6-9,11H2,1-5H3,(H,18,19).
What are the key properties of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine has a molecular weight of 278.44 g/mol, XLogP of 2.53, 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-propan-2-ylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 56820931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).