N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

C16H30N4 — CID 83083255

IUPACN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCn1cc(CNCCCN2CCCC2)c(C(C)(C)C)n1
InChIInChI=1S/C16H30N4/c1-16(2,3)15-14(13-19(4)18-15)12-17-8-7-11-20-9-5-6-10-20/h13,17H,5-12H2,1-4H3
InChIKeyBGGIMGUHPWBQGH-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.29
Rot. Bonds6

About N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 83083255) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID83083255
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCn1cc(CNCCCN2CCCC2)c(C(C)(C)C)n1
InChIInChI=1S/C16H30N4/c1-16(2,3)15-14(13-19(4)18-15)12-17-8-7-11-20-9-5-6-10-20/h13,17H,5-12H2,1-4H3
InChIKeyBGGIMGUHPWBQGH-UHFFFAOYSA-N
XLogP2.29
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71695428
1-(1,3-dimethyl-1H-pyrazol-4-yl)propan-2-amine
CID 19585896
1-methyl-3-(pyrrolidin-3-yl)-1H-pyrazole
CID 82417224
4-(1,4-dimethyl-1H-pyrazol-5-yl)piperidine
CID 82600316
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 47331709
N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53616220
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-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine
CID 56900857
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 72043819
[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methanamine
CID 39869194

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 83083255) is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is Cn1cc(CNCCCN2CCCC2)c(C(C)(C)C)n1.
What is the InChIKey of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is BGGIMGUHPWBQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-16(2,3)15-14(13-19(4)18-15)12-17-8-7-11-20-9-5-6-10-20/h13,17H,5-12H2,1-4H3.
What are the key properties of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 83083255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).