1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine

C14H25N5O2 — CID 66011033

IUPAC1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NCC1CCN(C(C)C)C1
InChIInChI=1S/C14H25N5O2/c1-5-18-14(13(19(20)21)11(4)16-18)15-8-12-6-7-17(9-12)10(2)3/h10,12,15H,5-9H2,1-4H3
InChIKeyHMUJHZXXPIBOFS-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.26
Rot. Bonds6

About 1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine

1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine (PubChem CID 66011033) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine
PubChem CID66011033
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NCC1CCN(C(C)C)C1
InChIInChI=1S/C14H25N5O2/c1-5-18-14(13(19(20)21)11(4)16-18)15-8-12-6-7-17(9-12)10(2)3/h10,12,15H,5-9H2,1-4H3
InChIKeyHMUJHZXXPIBOFS-UHFFFAOYSA-N
XLogP2.26
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]methyl]cyclohexan-1-ol
CID 66013598
N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 99836739
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 60858148
3-methyl-4-nitro-1-propan-2-yl-N-(pyrrolidin-3-ylmethyl)pyrazol-5-amine
CID 80564001
3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-2-methylpropanoic acid
CID 66012374
1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine
CID 66011038
N-[(4-ethylcyclohexyl)methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 60972503
N-cyclohexyl-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 66012574
3-[[(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)amino]methyl]cyclohexan-1-ol
CID 106129397
N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine
CID 66013610
1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine
CID 66010827
1-ethyl-3-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-5-amine
CID 82944468

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine?
The IUPAC name of 1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine (CID 66011033) is 1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine is CCn1nc(C)c([N+](=O)[O-])c1NCC1CCN(C(C)C)C1.
What is the InChIKey of 1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine?
The InChIKey is HMUJHZXXPIBOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-5-18-14(13(19(20)21)11(4)16-18)15-8-12-6-7-17(9-12)10(2)3/h10,12,15H,5-9H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine?
1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine has a molecular weight of 295.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 66011033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).