[3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine

C14H26N4 — CID 120846935

IUPAC[3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCc1nn(C(C)C)cc1CN1CCC(C)(CN)C1
InChIInChI=1S/C14H26N4/c1-11(2)18-8-13(12(3)16-18)7-17-6-5-14(4,9-15)10-17/h8,11H,5-7,9-10,15H2,1-4H3
InChIKeyHKHOJSRMJXHZTF-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.94
Rot. Bonds4

About [3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine

[3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 120846935) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is [3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID120846935
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name[3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCc1nn(C(C)C)cc1CN1CCC(C)(CN)C1
InChIInChI=1S/C14H26N4/c1-11(2)18-8-13(12(3)16-18)7-17-6-5-14(4,9-15)10-17/h8,11H,5-7,9-10,15H2,1-4H3
InChIKeyHKHOJSRMJXHZTF-UHFFFAOYSA-N
XLogP1.94
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine (CID 120846935) is [3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine is Cc1nn(C(C)C)cc1CN1CCC(C)(CN)C1.
What is the InChIKey of [3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is HKHOJSRMJXHZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)18-8-13(12(3)16-18)7-17-6-5-14(4,9-15)10-17/h8,11H,5-7,9-10,15H2,1-4H3.
What are the key properties of [3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine?
[3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120846935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).