N-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine

C14H25N5O2 — CID 63241635

IUPACN-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine
SMILESCc1nn(C)c(N2CCCC(CNC(C)C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-10(2)15-8-12-6-5-7-18(9-12)14-13(19(20)21)11(3)16-17(14)4/h10,12,15H,5-9H2,1-4H3
InChIKeyHQLPEFRLYIJVHY-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.85
Rot. Bonds5

About N-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine

N-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 63241635) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID63241635
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC NameN-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine
SMILESCc1nn(C)c(N2CCCC(CNC(C)C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-10(2)15-8-12-6-5-7-18(9-12)14-13(19(20)21)11(3)16-17(14)4/h10,12,15H,5-9H2,1-4H3
InChIKeyHQLPEFRLYIJVHY-UHFFFAOYSA-N
XLogP1.85
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.85
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

[1-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-yl]methanol
CID 66029118
1-(1,3-dimethyl-4-nitropyrazol-5-yl)azepane
CID 47213588
3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine
CID 133440986
N-methyl-1-[1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-yl]methanamine
CID 66017059
N-[[1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methyl]propan-2-amine
CID 102771315
(2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide
CID 94139166
3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine
CID 79827982
2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977973
[1-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)pyrrolidin-3-yl]methanol
CID 66027192
2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-yl]acetic acid
CID 66015149
N-[[1-(2-bromo-4-nitrophenyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241451
N-[[1-(2-chloro-4-nitrophenyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241404

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine (CID 63241635) is N-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine is Cc1nn(C)c(N2CCCC(CNC(C)C)C2)c1[N+](=O)[O-].
What is the InChIKey of N-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is HQLPEFRLYIJVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-10(2)15-8-12-6-5-7-18(9-12)14-13(19(20)21)11(3)16-17(14)4/h10,12,15H,5-9H2,1-4H3.
What are the key properties of N-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 295.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63241635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).