4-amino-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-5-carboxamide

C12H16N4O2 — CID 65359790

IUPAC4-amino-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-5-carboxamide
SMILESCc1occc1CN(C)C(=O)c1c(N)cnn1C
InChIInChI=1S/C12H16N4O2/c1-8-9(4-5-18-8)7-15(2)12(17)11-10(13)6-14-16(11)3/h4-6H,7,13H2,1-3H3
InChIKeyUGSKHRIKILGAOD-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.18
Rot. Bonds3

About 4-amino-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-5-carboxamide

4-amino-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-5-carboxamide (PubChem CID 65359790) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-amino-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-5-carboxamide
PubChem CID65359790
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-amino-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-5-carboxamide
SMILESCc1occc1CN(C)C(=O)c1c(N)cnn1C
InChIInChI=1S/C12H16N4O2/c1-8-9(4-5-18-8)7-15(2)12(17)11-10(13)6-14-16(11)3/h4-6H,7,13H2,1-3H3
InChIKeyUGSKHRIKILGAOD-UHFFFAOYSA-N
XLogP1.18
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 65355621
4-amino-N,1-dimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazole-5-carboxamide
CID 65359475
5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 102705344
5-amino-2,4-difluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426909
3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426906
2-amino-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426558
3-amino-4,5-dichloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426755
5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide
CID 107253049
6-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 66463145
4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 104782708
4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide
CID 65359471
2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 61426214

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-5-carboxamide (CID 65359790) is 4-amino-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-5-carboxamide is Cc1occc1CN(C)C(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is UGSKHRIKILGAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-9(4-5-18-8)7-15(2)12(17)11-10(13)6-14-16(11)3/h4-6H,7,13H2,1-3H3.
What are the key properties of 4-amino-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-5-carboxamide?
4-amino-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 65359790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).