4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide

C12H21N5O — CID 65357053

IUPAC4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCC1CCN(C)C1
InChIInChI=1S/C12H21N5O/c1-3-17-11(10(13)7-15-17)12(18)14-6-9-4-5-16(2)8-9/h7,9H,3-6,8,13H2,1-2H3,(H,14,18)
InChIKeyARYAQUMXFWHTEF-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.17
Rot. Bonds4

About 4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide

4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide (PubChem CID 65357053) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide
PubChem CID65357053
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCC1CCN(C)C1
InChIInChI=1S/C12H21N5O/c1-3-17-11(10(13)7-15-17)12(18)14-6-9-4-5-16(2)8-9/h7,9H,3-6,8,13H2,1-2H3,(H,14,18)
InChIKeyARYAQUMXFWHTEF-UHFFFAOYSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide
CID 114107119
4-amino-1-ethyl-N-[(2-methylcyclohexyl)methyl]pyrazole-5-carboxamide
CID 65358665
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-amino-1-ethylpyrazole-5-carboxamide
CID 79079438
4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide
CID 65358827
4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide
CID 79304547
4-amino-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 65357279
6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62160287
4-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 65356980
4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide
CID 65357083
2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate
CID 83202536
4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide
CID 65359115
(4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 65358580

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide (CID 65357053) is 4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NCC1CCN(C)C1.
What is the InChIKey of 4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is ARYAQUMXFWHTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-17-11(10(13)7-15-17)12(18)14-6-9-4-5-16(2)8-9/h7,9H,3-6,8,13H2,1-2H3,(H,14,18).
What are the key properties of 4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 65357053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).