4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide

C12H21N5O — CID 105413288

IUPAC4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCN(C)C1(CNC(=O)c2c(N)cnn2C)CCC1
InChIInChI=1S/C12H21N5O/c1-16(2)12(5-4-6-12)8-14-11(18)10-9(13)7-15-17(10)3/h7H,4-6,8,13H2,1-3H3,(H,14,18)
InChIKeyPIIYPWIIHHGGJG-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.22
Rot. Bonds4

About 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide

4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 105413288) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide
PubChem CID105413288
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCN(C)C1(CNC(=O)c2c(N)cnn2C)CCC1
InChIInChI=1S/C12H21N5O/c1-16(2)12(5-4-6-12)8-14-11(18)10-9(13)7-15-17(10)3/h7H,4-6,8,13H2,1-3H3,(H,14,18)
InChIKeyPIIYPWIIHHGGJG-UHFFFAOYSA-N
XLogP0.22
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-5-carboxamide
CID 114114711
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 104758335
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
CID 83115454
1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide
CID 105417102
4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide
CID 70115769
4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide
CID 65359284
4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide
CID 114107088
4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide
CID 65359621
N-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide
CID 105420051
5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 83107440
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 105420364
2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-4-carboxamide
CID 105420310

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide (CID 105413288) is 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide is CN(C)C1(CNC(=O)c2c(N)cnn2C)CCC1.
What is the InChIKey of 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is PIIYPWIIHHGGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-16(2)12(5-4-6-12)8-14-11(18)10-9(13)7-15-17(10)3/h7H,4-6,8,13H2,1-3H3,(H,14,18).
What are the key properties of 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide?
4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 105413288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).