1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine

C14H25N5O2 — CID 66020001

IUPAC1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine
SMILESCCCc1nn(C)c(NCC2CCCCN2C)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-4-7-12-13(19(20)21)14(18(3)16-12)15-10-11-8-5-6-9-17(11)2/h11,15H,4-10H2,1-3H3
InChIKeyYMKDQCCVLQKKFI-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.18
Rot. Bonds6

About 1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine

1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine (PubChem CID 66020001) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine
PubChem CID66020001
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine
SMILESCCCc1nn(C)c(NCC2CCCCN2C)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-4-7-12-13(19(20)21)14(18(3)16-12)15-10-11-8-5-6-9-17(11)2/h11,15H,4-10H2,1-3H3
InChIKeyYMKDQCCVLQKKFI-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017077
1-methyl-4-nitro-N-(piperidin-2-ylmethyl)-3-propylpyrazol-5-amine
CID 66017120
1-methyl-4-nitro-3-propyl-N-(thian-2-ylmethyl)pyrazol-5-amine
CID 80613152
N-[(1,1-dioxothiolan-2-yl)methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 81041641
5-[[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one
CID 66020014
N-(2-cyclopropylethyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66018276
N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017295
N'-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine
CID 66016680
2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol
CID 66017659
N,2-dimethyl-N'-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,3-diamine
CID 115302974
1-methyl-4-nitro-3-propyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazol-5-amine
CID 104973568
1-methyl-4-nitro-N-[(E)-pent-3-enyl]-3-propylpyrazol-5-amine
CID 113465741

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine?
The IUPAC name of 1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine (CID 66020001) is 1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine?
The canonical SMILES for 1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine is CCCc1nn(C)c(NCC2CCCCN2C)c1[N+](=O)[O-].
What is the InChIKey of 1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine?
The InChIKey is YMKDQCCVLQKKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-7-12-13(19(20)21)14(18(3)16-12)15-10-11-8-5-6-9-17(11)2/h11,15H,4-10H2,1-3H3.
What are the key properties of 1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine?
1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine has a molecular weight of 295.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-nitro-3-propylpyrazol-5-amine is sourced from PubChem (CID 66020001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).