3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide

C11H20N4O — CID 60849362

IUPAC3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)CCNC(C)(C)C)cn1
InChIInChI=1S/C11H20N4O/c1-11(2,3)12-6-5-10(16)14-9-7-13-15(4)8-9/h7-8,12H,5-6H2,1-4H3,(H,14,16)
InChIKeyLXQJFMDQLQEHAV-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.14
Rot. Bonds4

About 3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide

3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide (PubChem CID 60849362) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide
PubChem CID60849362
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)CCNC(C)(C)C)cn1
InChIInChI=1S/C11H20N4O/c1-11(2,3)12-6-5-10(16)14-9-7-13-15(4)8-9/h7-8,12H,5-6H2,1-4H3,(H,14,16)
InChIKeyLXQJFMDQLQEHAV-UHFFFAOYSA-N
XLogP1.14
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide
CID 155981643
3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682189
N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide
CID 78874989
2-(ethylamino)-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 62831574
N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide
CID 60508064
2-anilino-N-(1-methylpyrazol-4-yl)acetamide
CID 54927465
1-butyl-3-(1-methylpyrazol-4-yl)urea
CID 115581879
5-[(1-methylpyrazol-4-yl)amino]pentanoic acid
CID 79778286
3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide
CID 31921008
N-(1-methylpyrazol-4-yl)-2-piperazin-1-ylacetamide
CID 43535278
3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide
CID 65264942
3-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79770849

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide (CID 60849362) is 3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide is Cn1cc(NC(=O)CCNC(C)(C)C)cn1.
What is the InChIKey of 3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is LXQJFMDQLQEHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,3)12-6-5-10(16)14-9-7-13-15(4)8-9/h7-8,12H,5-6H2,1-4H3,(H,14,16).
What are the key properties of 3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide?
3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 224.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 60849362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).