N-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide

C11H20N4O — CID 112723454

IUPACN-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide
SMILESCC(Nc1ccn(C)n1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H20N4O/c1-8(10(16)13-11(2,3)4)12-9-6-7-15(5)14-9/h6-8H,1-5H3,(H,12,14)(H,13,16)
InChIKeyDDSUORLSRGRBNO-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.14
Rot. Bonds3

About N-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide

N-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide (PubChem CID 112723454) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide
PubChem CID112723454
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide
SMILESCC(Nc1ccn(C)n1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H20N4O/c1-8(10(16)13-11(2,3)4)12-9-6-7-15(5)14-9/h6-8H,1-5H3,(H,12,14)(H,13,16)
InChIKeyDDSUORLSRGRBNO-UHFFFAOYSA-N
XLogP1.14
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide
CID 112723457
methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate
CID 66174339
N-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide
CID 112690921
(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
CID 78971987
(2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide
CID 129379444
(2R)-1-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106932300
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
N-tert-butyl-2-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]propanamide
CID 103385773
N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide
CID 115596829
2-bromo-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 60810457
(2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide
CID 95156985
N-tert-butyl-2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 112687594

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide (CID 112723454) is N-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide is CC(Nc1ccn(C)n1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide?
The InChIKey is DDSUORLSRGRBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(10(16)13-11(2,3)4)12-9-6-7-15(5)14-9/h6-8H,1-5H3,(H,12,14)(H,13,16).
What are the key properties of N-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide?
N-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide has a molecular weight of 224.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide is sourced from PubChem (CID 112723454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).