N-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine

C17H24N6O2 — CID 99836664

IUPACN-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](CNc2cccc(C)n2)C1
InChIInChI=1S/C17H24N6O2/c1-4-22-17(16(23(24)25)13(3)20-22)21-9-8-14(11-21)10-18-15-7-5-6-12(2)19-15/h5-7,14H,4,8-11H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyDZFOIHDYRJGASL-CQSZACIVSA-N
MW344.42 g/mol
LogP2.76
Rot. Bonds6

About N-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine

N-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine (PubChem CID 99836664) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
PubChem CID99836664
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](CNc2cccc(C)n2)C1
InChIInChI=1S/C17H24N6O2/c1-4-22-17(16(23(24)25)13(3)20-22)21-9-8-14(11-21)10-18-15-7-5-6-12(2)19-15/h5-7,14H,4,8-11H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyDZFOIHDYRJGASL-CQSZACIVSA-N
XLogP2.76
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-ol
CID 104892733
6-methyl-N-[[(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 97351953
6-methyl-N-[[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 75455220
1-[1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976800
6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95146703
1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)azetidin-3-ol
CID 66012841
1-[1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanol
CID 106837306
1-ethyl-3-methyl-4-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 66011033
6-methyl-N-[[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595699
(2R)-2-(cyclopropylmethoxymethyl)-4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)morpholine
CID 124888980
ethyl 1,3-dimethyl-4-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133443111
1-cyclopropyl-6-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 122145567

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine (CID 99836664) is N-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine is CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](CNc2cccc(C)n2)C1.
What is the InChIKey of N-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine?
The InChIKey is DZFOIHDYRJGASL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-4-22-17(16(23(24)25)13(3)20-22)21-9-8-14(11-21)10-18-15-7-5-6-12(2)19-15/h5-7,14H,4,8-11H2,1-3H3,(H,18,19)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine?
N-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine has a molecular weight of 344.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 99836664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).