4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide

C12H19N5O2 — CID 65358130

IUPAC4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)CC(=O)NC2CC2)n1
InChIInChI=1S/C12H19N5O2/c1-3-17-6-9(13)11(15-17)12(19)16(2)7-10(18)14-8-4-5-8/h6,8H,3-5,7,13H2,1-2H3,(H,14,18)
InChIKeyDPXNMGHVFGRMKC-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.16
Rot. Bonds5

About 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide

4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide (PubChem CID 65358130) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide
PubChem CID65358130
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)CC(=O)NC2CC2)n1
InChIInChI=1S/C12H19N5O2/c1-3-17-6-9(13)11(15-17)12(19)16(2)7-10(18)14-8-4-5-8/h6,8H,3-5,7,13H2,1-2H3,(H,14,18)
InChIKeyDPXNMGHVFGRMKC-UHFFFAOYSA-N
XLogP-0.16
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 65357964
4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide
CID 65359090
4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide
CID 65358133
4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide
CID 114946837
4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 65358594
4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
CID 65358199
ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate
CID 65358214
4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide
CID 65357912
2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-cyclopropylacetamide
CID 103078075
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61093482
4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 65358055
4-amino-N-cyclopropyl-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide
CID 65357909

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide (CID 65358130) is 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)N(C)CC(=O)NC2CC2)n1.
What is the InChIKey of 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide?
The InChIKey is DPXNMGHVFGRMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-17-6-9(13)11(15-17)12(19)16(2)7-10(18)14-8-4-5-8/h6,8H,3-5,7,13H2,1-2H3,(H,14,18).
What are the key properties of 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide?
4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65358130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).