N-methyl-1-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]methanamine

C10H17N5O2 — CID 114994546

IUPACN-methyl-1-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(c2cn[nH]c2[N+](=O)[O-])C1
InChIInChI=1S/C10H17N5O2/c1-11-5-8-3-2-4-14(7-8)9-6-12-13-10(9)15(16)17/h6,8,11H,2-5,7H2,1H3,(H,12,13)
InChIKeyHNDPSQYWLQWWAW-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.75
Rot. Bonds4

About N-methyl-1-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]methanamine

N-methyl-1-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]methanamine (PubChem CID 114994546) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-1-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]methanamine
PubChem CID114994546
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-methyl-1-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(c2cn[nH]c2[N+](=O)[O-])C1
InChIInChI=1S/C10H17N5O2/c1-11-5-8-3-2-4-14(7-8)9-6-12-13-10(9)15(16)17/h6,8,11H,2-5,7H2,1H3,(H,12,13)
InChIKeyHNDPSQYWLQWWAW-UHFFFAOYSA-N
XLogP0.75
TPSA87.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]acetic acid
CID 55104994
1-(5-nitro-1H-pyrazol-4-yl)pyrrolidin-3-amine
CID 82235624
N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine
CID 61205011
N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-3-yl]methanamine
CID 102799744
3-[3-(methylaminomethyl)piperidin-1-yl]-4-nitrobenzoic acid
CID 82770518
N-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 61204820
1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799637
1-[1-[(3-fluoro-5-nitrophenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 115980961
N-methyl-1-[1-[1-(4-nitrophenyl)ethyl]piperidin-3-yl]methanamine
CID 61205255
1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine
CID 61313343
N-[[1-(2-bromo-4-nitrophenyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241451
N-methyl-1-[1-(5-pyridazin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine
CID 102799660

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]methanamine (CID 114994546) is N-methyl-1-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]methanamine is CNCC1CCCN(c2cn[nH]c2[N+](=O)[O-])C1.
What is the InChIKey of N-methyl-1-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]methanamine?
The InChIKey is HNDPSQYWLQWWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-11-5-8-3-2-4-14(7-8)9-6-12-13-10(9)15(16)17/h6,8,11H,2-5,7H2,1H3,(H,12,13).
What are the key properties of N-methyl-1-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]methanamine?
N-methyl-1-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]methanamine has a molecular weight of 239.28 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(5-nitro-1H-pyrazol-4-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 114994546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).