N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine

C14H23N5O2 — CID 66026956

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
SMILESCc1nn(C(C)C)c(NC2CCN(C3CC3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H23N5O2/c1-9(2)18-14(13(19(20)21)10(3)16-18)15-11-6-7-17(8-11)12-4-5-12/h9,11-12,15H,4-8H2,1-3H3
InChIKeyGEBVMCKTDNEEQD-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.33
Rot. Bonds5

About N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine

N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine (PubChem CID 66026956) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
PubChem CID66026956
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
SMILESCc1nn(C(C)C)c(NC2CCN(C3CC3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H23N5O2/c1-9(2)18-14(13(19(20)21)10(3)16-18)15-11-6-7-17(8-11)12-4-5-12/h9,11-12,15H,4-8H2,1-3H3
InChIKeyGEBVMCKTDNEEQD-UHFFFAOYSA-N
XLogP2.33
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.33
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

N-(azetidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66188441
N-(1,1-dioxothian-4-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66027716
N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine
CID 66026983
N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)azepan-4-amine
CID 107173655
N-(2,3-dimethylcyclopentyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66028515
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 60858148
N-(2-ethylcyclohexyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66029462
N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)hydroxylamine
CID 130500598
3-methyl-4-nitro-1-propan-2-yl-N-(pyrrolidin-3-ylmethyl)pyrazol-5-amine
CID 80564001
N-(2,2-dimethylpropyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66029461
3-methyl-4-nitro-1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)pyrazol-5-amine
CID 66028892
3-methyl-N-[(2-methylcyclohexyl)methyl]-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66029272

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine (CID 66026956) is N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine is Cc1nn(C(C)C)c(NC2CCN(C3CC3)C2)c1[N+](=O)[O-].
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine?
The InChIKey is GEBVMCKTDNEEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-9(2)18-14(13(19(20)21)10(3)16-18)15-11-6-7-17(8-11)12-4-5-12/h9,11-12,15H,4-8H2,1-3H3.
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine?
N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine has a molecular weight of 293.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 66026956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).